8,12-diethyl-3,7,13,17-tetramethyl-18-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-21,24-dihydroporphyrin-2-carboxylic acid

Systemtic Name: 8,12-diethyl-3,7,13,17-tetramethyl-18-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-21,24-dihydroporphyrin-2-carboxylic acid Openeye Name: 8,12-diethyl-18-(2-hydroxy-1-methyl-2-oxo-ethyl)-3,7,13,17-tetramethyl-21,24-dihydroporphyrin-2-carboxylic acid CAS Name: 8,12-diethyl-18-(1-hydroxy-1-oxopropan-2-yl)-3,7,13,17-tetramethyl-21,24-dihydroporphyrin-2-carboxylic acid IUPAC Name: 8,12-diethyl-18-(1-hydroxy-1-oxopropan-2-yl)-3,7,13,17-tetramethyl-21,24-dihydroporphyrin-2-carboxylic acid Traditional Name: 8,12-diethyl-18-(2-hydroxy-2-keto-1-methyl-ethyl)-3,7,13,17-tetramethyl-21,24-dihydroporphine-2-carboxylic acid Formula: C32H34N4O4 MolecularWeight: 538.63676

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=CC5=NC(=CC1=N2)C(=C5C)CC)N4)C)C(=O)O)C(C)C(=O)O)C)C

Isomeric SMILES

CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=CC5=NC(=CC1=N2)C(=C5C)CC)N4)C)C(=O)O)C(C)C(=O)O)C)C

InChI

InChI=1S/C32H34N4O4/c1-8-19-14(3)21-10-23-16(5)29(18(7)31(37)38)27(35-23)13-28-30(32(39)40)17(6)24(36-28)11-22-15(4)20(9-2)26(34-22)12-25(19)33-21/h10-13,18,35-36H,8-9H2,1-7H3,(H,37,38)(H,39,40)