Molecule Identification Common Name 4-[10,15,20-Tris(4-sulfophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]benzenesulfonic acid Definition Based on a literature review very few articles have been published on 4-[10,15,20-Tris(4-sulfophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]benzenesulfonic acid. Structure OS(=O)(=O)C1=CC=C(C=C1)C1=C2/N\C(\C=C2)=C(/C2=CC=C(N2)\C(=C2/N\C(\C=C2)=C(/C2=CC=C\1N2)C1=CC=C(C=C1)S(O)(=O)=O)C1=CC=C(C=C1)S(O)(=O)=O)C1=CC=C(C=C1)S(O)(=O)=O InChI=1S/C44H32N4O12S4/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57/h1-24,45-48H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40- Synonyms Value Source 4-[10,15,20-Tris(4-sulfophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]benzenesulfonate Generator 4-[10,15,20-Tris(4-sulphophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]benzenesulphonate Generator 4-[10,15,20-Tris(4-sulphophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]benzenesulphonic acid Generator 4-[7,12,17-Tris(4-sulfophenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1,.1,.1,]tetracosa-1,3,5,7,9,11,13,15,17,19-decaen-2-yl]benzene-1-sulfonate HMDB 4-[7,12,17-Tris(4-sulphophenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1,.1,.1,]tetracosa-1,3,5,7,9,11,13,15,17,19-decaen-2-yl]benzene-1-sulphonate HMDB 4-[7,12,17-Tris(4-sulphophenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1,.1,.1,]tetracosa-1,3,5,7,9,11,13,15,17,19-decaen-2-yl]benzene-1-sulphonic acid HMDB
Chemical Formula C44 H32 N4 O12 S4 Average Molecular Weight 937.0 Monoisotopic Molecular Weight 936.089957182 IUPAC Name 4-[7,12,17-tris(4-sulfophenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11,13,15,17,19-decaen-2-yl]benzene-1-sulfonic acid Traditional Name 4-[7,12,17-tris(4-sulfophenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11,13,15,17,19-decaen-2-yl]benzenesulfonic acid CAS Registry Number Not Available SMILES OS(=O)(=O)C1=CC=C(C=C1)C1=C2/N\C(\C=C2)=C(/C2=CC=C(N2)\C(=C2/N\C(\C=C2)=C(/C2=CC=C\1N2)C1=CC=C(C=C1)S(O)(=O)=O)C1=CC=C(C=C1)S(O)(=O)=O)C1=CC=C(C=C1)S(O)(=O)=O
InChI Identifier InChI=1S/C44H32N4O12S4/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57/h1-24,45-48H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChI Key JFVQFDYHADOFFC-LWQDQPMZSA-N 
