methyl 4-[bis(2-oxidanyl-3-oxidanylidene-5-propan-2-yl-cyclohepta-1,4,6-trien-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[bis(2-oxidanyl-3-oxidanylidene-5-propan-2-yl-cyclohepta-1,4,6-trien-1-yl)methyl]benzoate Openeye Name: methyl 4-[bis(2-hydroxy-5-isopropyl-3-oxo-cyclohepta-1,4,6-trien-1-yl)methyl]benzoate CAS Name: 4-[bis(2-hydroxy-3-oxo-5-propan-2-yl-1-cyclohepta-1,4,6-trienyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[bis(2-hydroxy-3-oxo-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)methyl]benzoate Traditional Name: 4-[bis(2-hydroxy-5-isopropyl-3-keto-cyclohepta-1,4,6-trien-1-yl)methyl]benzoic acid methyl ester Formula: C29H30O6 MolecularWeight: 474.5449

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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)C(=O)OC)C3=C(C(=O)C=C(C=C3)C(C)C)O)O

Isomeric SMILES

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

InChI

InChI=1S/C29H30O6/c1-16(2)20-10-12-22(27(32)24(30)14-20)26(18-6-8-19(9-7-18)29(34)35-5)23-13-11-21(17(3)4)15-25(31)28(23)33/h6-17,26H,1-5H3,(H,30,32)(H,31,33)