zinc 4-[(2Z)-2-(15-phenylporphyrin-22-id-5-ylidene)-3-(4-sulfobutyl)imidazol-1-yl]butane-1-sulfonate

Systemtic Name: zinc 4-[(2Z)-2-(15-phenylporphyrin-22-id-5-ylidene)-3-(4-sulfobutyl)imidazol-1-yl]butane-1-sulfonate Openeye Name: zinc 4-[(2Z)-2-(15-phenylporphyrin-22-id-5-ylidene)-3-(4-sulfobutyl)imidazol-1-yl]butane-1-sulfonate CAS Name: zinc 4-[(2Z)-2-(15-phenyl-5-porphyrin-22-idylidene)-3-(4-sulfobutyl)-1-imidazolyl]-1-butanesulfonate IUPAC Name: zinc 4-[(2Z)-2-(15-phenylporphyrin-22-id-5-ylidene)-3-(4-sulfobutyl)imidazol-1-yl]butane-1-sulfonate Traditional Name: zinc 4-[(2Z)-2-(15-phenylporphin-22-id-5-ylidene)-3-(4-sulfobutyl)-4-imidazolin-1-yl]butane-1-sulfonate Formula: C37H34N6O6S2Zn MolecularWeight: 788.24146

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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=CC=C([N-]6)C=C7C=CC2=N7.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=N3)C=C4C=CC(=N4)/C(=C/5\N(C=CN5CCCCS(=O)(=O)[O-])CCCCS(=O)(=O)O)/C6=CC=C([N-]6)C=C7C=CC2=N7.[Zn+2]

InChI

InChI=1S/C37H35N6O6S2.Zn/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;/h1-3,8-17,20-21,24-25H,4-7,18-19,22-23H2,(H,44,45,46)(H,47,48,49);/q-1;+2/p-1