tridecan-5-yl 2-methylbenzoate

Systemtic Name: tridecan-5-yl 2-methylbenzoate Openeye Name: 1-butylnonyl 2-methylbenzoate CAS Name: 2-methylbenzoic acid tridecan-5-yl ester IUPAC Name: tridecan-5-yl 2-methylbenzoate Traditional Name: 2-methylbenzoic acid 1-butylnonyl ester Formula: C21H34O2 MolecularWeight: 318.49346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCC)OC(=O)C1=CC=CC=C1C

Isomeric SMILES

CCCCCCCCC(CCCC)OC(=O)C1=CC=CC=C1C

InChI

InChI=1S/C21H34O2/c1-4-6-8-9-10-11-16-19(15-7-5-2)23-21(22)20-17-13-12-14-18(20)3/h12-14,17,19H,4-11,15-16H2,1-3H3