tridecan-2-yl 3-methylbenzoate

Systemtic Name: tridecan-2-yl 3-methylbenzoate Openeye Name: 1-methyldodecyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid tridecan-2-yl ester IUPAC Name: tridecan-2-yl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid 1-methyldodecyl ester Formula: C21H34O2 MolecularWeight: 318.49346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C)OC(=O)C1=CC(=CC=C1)C

Isomeric SMILES

CCCCCCCCCCCC(C)OC(=O)C1=CC(=CC=C1)C

InChI

InChI=1S/C21H34O2/c1-4-5-6-7-8-9-10-11-12-15-19(3)23-21(22)20-16-13-14-18(2)17-20/h13-14,16-17,19H,4-12,15H2,1-3H3