tridecyl 3-methylbenzoate

Systemtic Name: tridecyl 3-methylbenzoate Openeye Name: tridecyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid tridecyl ester IUPAC Name: tridecyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid tridecyl ester Formula: C21H34O2 MolecularWeight: 318.49346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)C

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)C

InChI

InChI=1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-17-23-21(22)20-16-14-15-19(2)18-20/h14-16,18H,3-13,17H2,1-2H3