3-(12-ethenyl-7,18-diethyl-3,8,13,17-tetramethyl-23,24-dihydroporphyrin-2-yl)propanoic acid

Systemtic Name: 3-(12-ethenyl-7,18-diethyl-3,8,13,17-tetramethyl-23,24-dihydroporphyrin-2-yl)propanoic acid Openeye Name: 3-(7,18-diethyl-3,8,13,17-tetramethyl-12-vinyl-23,24-dihydroporphyrin-2-yl)propanoic acid CAS Name: 3-(12-ethenyl-7,18-diethyl-3,8,13,17-tetramethyl-23,24-dihydroporphyrin-2-yl)propanoic acid IUPAC Name: 3-(12-ethenyl-7,18-diethyl-3,8,13,17-tetramethyl-23,24-dihydroporphyrin-2-yl)propanoic acid Traditional Name: 3-(7,18-diethyl-3,8,13,17-tetramethyl-12-vinyl-23,24-dihydroporphin-2-yl)propionic acid Formula: C33H36N4O2 MolecularWeight: 520.66454

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C3C(=C(C(=N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=CC(=C1C)N2)N5)C)C=C)C)CC)C)CCC(=O)O

Isomeric SMILES

CCC1=C2C=C3C(=C(C(=N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=CC(=C1C)N2)N5)C)C=C)C)CC)C)CCC(=O)O

InChI

InChI=1S/C33H36N4O2/c1-8-21-17(4)25-13-26-18(5)23(10-3)31(35-26)16-32-24(11-12-33(38)39)20(7)28(37-32)15-30-22(9-2)19(6)27(36-30)14-29(21)34-25/h8,13-16,34-35H,1,9-12H2,2-7H3,(H,38,39)