heptadecyl 3-methylbenzoate

Systemtic Name: heptadecyl 3-methylbenzoate Openeye Name: heptadecyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid heptadecyl ester IUPAC Name: heptadecyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid heptadecyl ester Formula: C25H42O2 MolecularWeight: 374.59978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)C

InChI

InChI=1S/C25H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-25(26)24-20-18-19-23(2)22-24/h18-20,22H,3-17,21H2,1-2H3