[4-[(Z)-2-methyl-3-[(2R)-octan-2-yl]oxy-3-oxidanylidene-prop-1-enyl]phenyl] 4-acetyloxybenzoate

Systemtic Name: [4-[(Z)-2-methyl-3-[(2R)-octan-2-yl]oxy-3-oxidanylidene-prop-1-enyl]phenyl] 4-acetyloxybenzoate Openeye Name: [4-[(Z)-2-methyl-3-[(1R)-1-methylheptoxy]-3-oxo-prop-1-enyl]phenyl] 4-acetoxybenzoate CAS Name: 4-acetyloxybenzoic acid [4-[(Z)-2-methyl-3-[(2R)-octan-2-yl]oxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(Z)-2-methyl-3-[(2R)-octan-2-yl]oxy-3-oxoprop-1-enyl]phenyl] 4-acetyloxybenzoate Traditional Name: 4-acetoxybenzoic acid [4-[(Z)-3-keto-2-methyl-3-[(1R)-1-methylheptoxy]prop-1-enyl]phenyl] ester Formula: C27H32O6 MolecularWeight: 452.53938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C(=CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC(=O)C)C

Isomeric SMILES

CCCCCC[C@@H](C)OC(=O)/C(=C\C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC(=O)C)/C

InChI

InChI=1S/C27H32O6/c1-5-6-7-8-9-20(3)31-26(29)19(2)18-22-10-14-25(15-11-22)33-27(30)23-12-16-24(17-13-23)32-21(4)28/h10-18,20H,5-9H2,1-4H3/b19-18-/t20-/m1/s1