tridec-2-ynyl 3-methylbenzoate

Systemtic Name: tridec-2-ynyl 3-methylbenzoate Openeye Name: tridec-2-ynyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid tridec-2-ynyl ester IUPAC Name: tridec-2-ynyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid tridec-2-ynyl ester Formula: C21H30O2 MolecularWeight: 314.4617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CCOC(=O)C1=CC(=CC=C1)C

Isomeric SMILES

CCCCCCCCCCC#CCOC(=O)C1=CC(=CC=C1)C

InChI

InChI=1S/C21H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-17-23-21(22)20-16-14-15-19(2)18-20/h14-16,18H,3-11,17H2,1-2H3