4-[2-(15-phenyl-23H-porphyrin-5-ylidene)-3-(4-sulfobutyl)imidazol-1-yl]butane-1-sulfonic acid

Systemtic Name: 4-[2-(15-phenyl-23H-porphyrin-5-ylidene)-3-(4-sulfobutyl)imidazol-1-yl]butane-1-sulfonic acid Openeye Name: 4-[2-(15-phenyl-23H-porphyrin-5-ylidene)-3-(4-sulfobutyl)imidazol-1-yl]butane-1-sulfonic acid CAS Name: 4-[2-(15-phenyl-23H-porphyrin-5-ylidene)-3-(4-sulfobutyl)-1-imidazolyl]-1-butanesulfonic acid IUPAC Name: 4-[2-(15-phenyl-23H-porphyrin-5-ylidene)-3-(4-sulfobutyl)imidazol-1-yl]butane-1-sulfonic acid Traditional Name: 4-[2-(15-phenyl-23H-porphin-5-ylidene)-3-(4-sulfobutyl)-4-imidazolin-1-yl]butane-1-sulfonic acid Formula: C37H36N6O6S2 MolecularWeight: 724.84834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=N3)C=C4C=CC(=N4)C(=C5N(C=CN5CCCCS(=O)(=O)O)CCCCS(=O)(=O)O)C6=NC(=CC7=CC=C2N7)C=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=N3)C=C4C=CC(=N4)C(=C5N(C=CN5CCCCS(=O)(=O)O)CCCCS(=O)(=O)O)C6=NC(=CC7=CC=C2N7)C=C6

InChI

InChI=1S/C37H36N6O6S2/c44-50(45,46)22-6-4-18-42-20-21-43(19-5-7-23-51(47,48)49)37(42)36-33-16-12-29(40-33)24-27-10-14-31(38-27)35(26-8-2-1-3-9-26)32-15-11-28(39-32)25-30-13-17-34(36)41-30/h1-3,8-17,20-21,24-25,38H,4-7,18-19,22-23H2,(H,44,45,46)(H,47,48,49)