3-[7,12-diethyl-3,8,13,17-tetramethyl-18-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-22,24-dihydroporphyrin-2-yl]propanoic acid

Systemtic Name: 3-[7,12-diethyl-3,8,13,17-tetramethyl-18-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-22,24-dihydroporphyrin-2-yl]propanoic acid Openeye Name: 3-[7,12-diethyl-18-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-3,8,13,17-tetramethyl-22,24-dihydroporphyrin-2-yl]propanoic acid CAS Name: 3-[7,12-diethyl-18-[(E)-3-hydroxy-3-oxoprop-1-enyl]-3,8,13,17-tetramethyl-22,24-dihydroporphyrin-2-yl]propanoic acid IUPAC Name: 3-[7,12-diethyl-18-[(E)-3-hydroxy-3-oxoprop-1-enyl]-3,8,13,17-tetramethyl-22,24-dihydroporphyrin-2-yl]propanoic acid Traditional Name: 3-[7,12-diethyl-18-[(E)-3-hydroxy-3-keto-prop-1-enyl]-3,8,13,17-tetramethyl-22,24-dihydroporphin-2-yl]propionic acid Formula: C34H36N4O4 MolecularWeight: 564.67404

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C3C(=C(C(=N3)C=C4C(=C(C(=CC5=NC(=CC(=C1C)N2)C(=C5C)CC)N4)C)C=CC(=O)O)CCC(=O)O)C

Isomeric SMILES

CCC1=C2C=C3C(=C(C(=N3)C=C4C(=C(C(=CC5=NC(=CC(=C1C)N2)C(=C5C)CC)N4)C)/C=C/C(=O)O)CCC(=O)O)C

InChI

InChI=1S/C34H36N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h9,11,13-16,36-37H,7-8,10,12H2,1-6H3,(H,39,40)(H,41,42)/b11-9+,25-13?,26-13?,27-14?,28-15?,29-14?,30-15?,31-16?,32-16?