tridecan-2-yl 4-methylbenzoate

Systemtic Name: tridecan-2-yl 4-methylbenzoate Openeye Name: 1-methyldodecyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid tridecan-2-yl ester IUPAC Name: tridecan-2-yl 4-methylbenzoate Traditional Name: 4-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=C(C=C1)C

Isomeric SMILES

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

InChI

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