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

Systemtic Name: [4-[(Z)-2-methyl-3-[(2R)-octan-2-yl]oxy-3-oxidanylidene-prop-1-enyl]phenyl] 4-oxidanylbenzoate Openeye Name: [4-[(Z)-2-methyl-3-[(1R)-1-methylheptoxy]-3-oxo-prop-1-enyl]phenyl] 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic 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-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid [4-[(Z)-3-keto-2-methyl-3-[(1R)-1-methylheptoxy]prop-1-enyl]phenyl] ester Formula: C25H30O5 MolecularWeight: 410.5027

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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)O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H30O5/c1-4-5-6-7-8-19(3)29-24(27)18(2)17-20-9-15-23(16-10-20)30-25(28)21-11-13-22(26)14-12-21/h9-17,19,26H,4-8H2,1-3H3/b18-17-/t19-/m1/s1