phenethyl 3-methyl-2-oxidanyl-benzoate

Systemtic Name: phenethyl 3-methyl-2-oxidanyl-benzoate Openeye Name: phenethyl 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic acid phenethyl ester IUPAC Name: phenethyl 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid phenethyl ester Formula: C16H16O3 MolecularWeight: 256.29644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C16H16O3/c1-12-6-5-9-14(15(12)17)16(18)19-11-10-13-7-3-2-4-8-13/h2-9,17H,10-11H2,1H3