[4-[(E)-3-[(2R)-octan-2-yl]oxy-3-oxidanylidene-prop-1-enyl]phenyl] 4-hexadecoxybenzoate

Systemtic Name: [4-[(E)-3-[(2R)-octan-2-yl]oxy-3-oxidanylidene-prop-1-enyl]phenyl] 4-hexadecoxybenzoate Openeye Name: [4-[(E)-3-[(1R)-1-methylheptoxy]-3-oxo-prop-1-enyl]phenyl] 4-hexadecoxybenzoate CAS Name: 4-hexadecoxybenzoic acid [4-[(E)-3-[(2R)-octan-2-yl]oxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-[(2R)-octan-2-yl]oxy-3-oxoprop-1-enyl]phenyl] 4-hexadecoxybenzoate Traditional Name: 4-cetyloxybenzoic acid [4-[(E)-3-keto-3-[(1R)-1-methylheptoxy]prop-1-enyl]phenyl] ester Formula: C40H60O5 MolecularWeight: 620.9014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=CC(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C/C(=O)O[C@H](C)CCCCCC

InChI

InChI=1S/C40H60O5/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-21-33-43-37-30-26-36(27-31-37)40(42)45-38-28-23-35(24-29-38)25-32-39(41)44-34(3)22-20-9-7-5-2/h23-32,34H,4-22,33H2,1-3H3/b32-25+/t34-/m1/s1