heptyl 6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]naphthalene-2-carboxylate

Systemtic Name: heptyl 6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]naphthalene-2-carboxylate Openeye Name: heptyl 6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)vinyl]naphthalene-2-carboxylate CAS Name: 6-[(E)-2-(2,6,6-trimethyl-1-cyclohexenyl)ethenyl]-2-naphthalenecarboxylic acid heptyl ester IUPAC Name: heptyl 6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]naphthalene-2-carboxylate Traditional Name: 6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)vinyl]naphthalene-2-carboxylic acid heptyl ester Formula: C29H38O2 MolecularWeight: 418.61082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC2=C(C=C1)C=C(C=C2)C=CC3=C(CCCC3(C)C)C

Isomeric SMILES

CCCCCCCOC(=O)C1=CC2=C(C=C1)C=C(C=C2)/C=C/C3=C(CCCC3(C)C)C

InChI

InChI=1S/C29H38O2/c1-5-6-7-8-9-19-31-28(30)26-16-15-24-20-23(12-14-25(24)21-26)13-17-27-22(2)11-10-18-29(27,3)4/h12-17,20-21H,5-11,18-19H2,1-4H3/b17-13+