methyl 2-[(E)-heptadec-12-enyl]-6-methoxy-benzoate

Systemtic Name: methyl 2-[(E)-heptadec-12-enyl]-6-methoxy-benzoate Openeye Name: methyl 2-[(E)-heptadec-12-enyl]-6-methoxy-benzoate CAS Name: 2-[(E)-heptadec-12-enyl]-6-methoxybenzoic acid methyl ester IUPAC Name: methyl 2-[(E)-heptadec-12-enyl]-6-methoxybenzoate Traditional Name: 2-[(E)-heptadec-12-enyl]-6-methoxy-benzoic acid methyl ester Formula: C26H42O3 MolecularWeight: 402.60988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CCCCCCCCCCCCC1=C(C(=CC=C1)OC)C(=O)OC

Isomeric SMILES

CCCC/C=C/CCCCCCCCCCCC1=C(C(=CC=C1)OC)C(=O)OC

InChI

InChI=1S/C26H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-21-19-22-24(28-2)25(23)26(27)29-3/h7-8,19,21-22H,4-6,9-18,20H2,1-3H3/b8-7+