2-[(Z)-(2-methyl-4-oxidanylidene-5-propan-2-yl-cyclohexa-2,5-dien-1-ylidene)-(2-methyl-4-phosphonooxy-5-propan-2-yl-phenyl)methyl]benzoic acid

Systemtic Name: 2-[(Z)-(2-methyl-4-oxidanylidene-5-propan-2-yl-cyclohexa-2,5-dien-1-ylidene)-(2-methyl-4-phosphonooxy-5-propan-2-yl-phenyl)methyl]benzoic acid Openeye Name: 2-[(Z)-(5-isopropyl-2-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-(5-isopropyl-2-methyl-4-phosphonooxy-phenyl)methyl]benzoic acid CAS Name: 2-[(Z)-(2-methyl-4-oxo-5-propan-2-yl-1-cyclohexa-2,5-dienylidene)-(2-methyl-4-phosphonooxy-5-propan-2-ylphenyl)methyl]benzoic acid IUPAC Name: 2-[(Z)-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)-(2-methyl-4-phosphonooxy-5-propan-2-ylphenyl)methyl]benzoic acid Traditional Name: 2-[(Z)-(5-isopropyl-4-keto-2-methyl-cyclohexa-2,5-dien-1-ylidene)-(5-isopropyl-2-methyl-4-phosphonooxy-phenyl)methyl]benzoic acid Formula: C28H31O7P MolecularWeight: 510.515301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=C2C=C(C(=O)C=C2C)C(C)C)C3=CC=CC=C3C(=O)O)C(C)C)OP(=O)(O)O

Isomeric SMILES

CC1=CC(=C(C=C1/C(=C/2\C=C(C(=O)C=C2C)C(C)C)/C3=CC=CC=C3C(=O)O)C(C)C)OP(=O)(O)O

InChI

InChI=1S/C28H31O7P/c1-15(2)21-13-23(17(5)11-25(21)29)27(19-9-7-8-10-20(19)28(30)31)24-14-22(16(3)4)26(12-18(24)6)35-36(32,33)34/h7-16H,1-6H3,(H,30,31)(H2,32,33,34)/b27-23+