dodecyl 2,5-dimethylbenzoate

Systemtic Name: dodecyl 2,5-dimethylbenzoate Openeye Name: dodecyl 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid dodecyl ester IUPAC Name: dodecyl 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid lauryl ester Formula: C21H34O2 MolecularWeight: 318.49346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=C(C=CC(=C1)C)C

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=C(C=CC(=C1)C)C

InChI

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