heptadecyl 2-methylbenzoate

Systemtic Name: heptadecyl 2-methylbenzoate Openeye Name: heptadecyl 2-methylbenzoate CAS Name: 2-methylbenzoic acid heptadecyl ester IUPAC Name: heptadecyl 2-methylbenzoate Traditional Name: 2-methylbenzoic acid heptadecyl ester Formula: C25H42O2 MolecularWeight: 374.59978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C

Isomeric SMILES

CCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C

InChI

InChI=1S/C25H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27-25(26)24-21-18-17-20-23(24)2/h17-18,20-21H,3-16,19,22H2,1-2H3