tridecan-4-yl 2-methylbenzoate

Systemtic Name: tridecan-4-yl 2-methylbenzoate Openeye Name: 1-propyldecyl 2-methylbenzoate CAS Name: 2-methylbenzoic acid tridecan-4-yl ester IUPAC Name: tridecan-4-yl 2-methylbenzoate Traditional Name: 2-methylbenzoic acid 1-propyldecyl ester Formula: C21H34O2 MolecularWeight: 318.49346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCC)OC(=O)C1=CC=CC=C1C

Isomeric SMILES

CCCCCCCCCC(CCC)OC(=O)C1=CC=CC=C1C

InChI

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