4-[(4-methoxyphenyl)-(2-oxidanyl-3-oxidanylidene-5-propan-2-yl-cyclohepta-1,4,6-trien-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)-(2-oxidanyl-3-oxidanylidene-5-propan-2-yl-cyclohepta-1,4,6-trien-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid Openeye Name: 3-hydroxy-4-[(2-hydroxy-5-isopropyl-3-oxo-cyclohepta-1,4,6-trien-1-yl)-(4-methoxyphenyl)methyl]naphthalene-2-carboxylic acid CAS Name: 3-hydroxy-4-[(2-hydroxy-3-oxo-5-propan-2-yl-1-cyclohepta-1,4,6-trienyl)-(4-methoxyphenyl)methyl]-2-naphthalenecarboxylic acid IUPAC Name: 3-hydroxy-4-[(2-hydroxy-3-oxo-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-(4-methoxyphenyl)methyl]naphthalene-2-carboxylic acid Traditional Name: 3-hydroxy-4-[(2-hydroxy-5-isopropyl-3-keto-cyclohepta-1,4,6-trien-1-yl)-(4-methoxyphenyl)methyl]-2-naphthoic acid Formula: C29H26O6 MolecularWeight: 470.51314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)C(=C(C=C1)C(C2=CC=C(C=C2)OC)C3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O

Isomeric SMILES

CC(C)C1=CC(=O)C(=C(C=C1)C(C2=CC=C(C=C2)OC)C3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O

InChI

InChI=1S/C29H26O6/c1-16(2)18-10-13-22(27(31)24(30)15-18)25(17-8-11-20(35-3)12-9-17)26-21-7-5-4-6-19(21)14-23(28(26)32)29(33)34/h4-16,25,32H,1-3H3,(H,30,31)(H,33,34)