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

Systemtic Name: 4-[bis(2-oxidanyl-3-oxidanylidene-5-propan-2-yl-cyclohepta-1,4,6-trien-1-yl)methyl]benzoic acid Openeye Name: 4-[bis(2-hydroxy-5-isopropyl-3-oxo-cyclohepta-1,4,6-trien-1-yl)methyl]benzoic acid CAS Name: 4-[bis(2-hydroxy-3-oxo-5-propan-2-yl-1-cyclohepta-1,4,6-trienyl)methyl]benzoic acid IUPAC Name: 4-[bis(2-hydroxy-3-oxo-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)methyl]benzoic acid Traditional Name: 4-[bis(2-hydroxy-5-isopropyl-3-keto-cyclohepta-1,4,6-trien-1-yl)methyl]benzoic acid Formula: C28H28O6 MolecularWeight: 460.51832

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

InChI

InChI=1S/C28H28O6/c1-15(2)19-9-11-21(26(31)23(29)13-19)25(17-5-7-18(8-6-17)28(33)34)22-12-10-20(16(3)4)14-24(30)27(22)32/h5-16,25H,1-4H3,(H,29,31)(H,30,32)(H,33,34)