zinc 4-[2-(15-phenylporphyrin-21,22-diid-5-yl)imidazol-1-yl]butane-1-sulfonic acid

Systemtic Name: zinc 4-[2-(15-phenylporphyrin-21,22-diid-5-yl)imidazol-1-yl]butane-1-sulfonic acid Openeye Name: zinc 4-[2-(15-phenylporphyrin-21,22-diid-5-yl)imidazol-1-yl]butane-1-sulfonic acid CAS Name: zinc 4-[2-(15-phenyl-5-porphyrin-21,22-diidyl)-1-imidazolyl]-1-butanesulfonic acid IUPAC Name: zinc 4-[2-(15-phenylporphyrin-21,22-diid-5-yl)imidazol-1-yl]butane-1-sulfonic acid Traditional Name: zinc 4-[2-(15-phenylporphine-21,22-diid-5-yl)imidazol-1-yl]butane-1-sulfonic acid Formula: C33H26N6O3SZn MolecularWeight: 652.07194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=N3)C=C4C=CC(=C(C5=CC=C([N-]5)C=C6C=CC2=N6)C7=NC=CN7CCCCS(=O)(=O)O)[N-]4.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=N3)C=C4C=CC(=C(C5=CC=C([N-]5)C=C6C=CC2=N6)C7=NC=CN7CCCCS(=O)(=O)O)[N-]4.[Zn+2]

InChI

InChI=1S/C33H26N6O3S.Zn/c40-43(41,42)19-5-4-17-39-18-16-34-33(39)32-29-14-10-25(37-29)20-23-8-12-27(35-23)31(22-6-2-1-3-7-22)28-13-9-24(36-28)21-26-11-15-30(32)38-26;/h1-3,6-16,18,20-21H,4-5,17,19H2,(H,40,41,42);/q-2;+2