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

Systemtic Name: ethyl 2-[4-[bis(2-oxidanyl-3-oxidanylidene-5-propan-2-yl-cyclohepta-1,4,6-trien-1-yl)methyl]phenoxy]ethanoate Openeye Name: ethyl 2-[4-[bis(2-hydroxy-5-isopropyl-3-oxo-cyclohepta-1,4,6-trien-1-yl)methyl]phenoxy]acetate CAS Name: 2-[4-[bis(2-hydroxy-3-oxo-5-propan-2-yl-1-cyclohepta-1,4,6-trienyl)methyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[bis(2-hydroxy-3-oxo-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)methyl]phenoxy]acetate Traditional Name: 2-[4-[bis(2-hydroxy-5-isopropyl-3-keto-cyclohepta-1,4,6-trien-1-yl)methyl]phenoxy]acetic acid ethyl ester Formula: C31H34O7 MolecularWeight: 518.59746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=C(C=C1)C(C2=C(C(=O)C=C(C=C2)C(C)C)O)C3=C(C(=O)C=C(C=C3)C(C)C)O

Isomeric SMILES

CCOC(=O)COC1=CC=C(C=C1)C(C2=C(C(=O)C=C(C=C2)C(C)C)O)C3=C(C(=O)C=C(C=C3)C(C)C)O

InChI

InChI=1S/C31H34O7/c1-6-37-28(34)17-38-23-11-7-20(8-12-23)29(24-13-9-21(18(2)3)15-26(32)30(24)35)25-14-10-22(19(4)5)16-27(33)31(25)36/h7-16,18-19,29H,6,17H2,1-5H3,(H,32,35)(H,33,36)