[6-(3-methylbutyl)-6-oxidanyl-cyclohexa-2,4-dien-1-yl] methanoate

Systemtic Name: [6-(3-methylbutyl)-6-oxidanyl-cyclohexa-2,4-dien-1-yl] methanoate Openeye Name: (6-hydroxy-6-isopentyl-cyclohexa-2,4-dien-1-yl) formate CAS Name: formic acid [6-hydroxy-6-(3-methylbutyl)-1-cyclohexa-2,4-dienyl] ester IUPAC Name: [6-hydroxy-6-(3-methylbutyl)cyclohexa-2,4-dien-1-yl] formate Traditional Name: formic acid (6-hydroxy-6-isoamyl-cyclohexa-2,4-dien-1-yl) ester Formula: C12H18O3 MolecularWeight: 210.26952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(C=CC=CC1OC=O)O

Isomeric SMILES

CC(C)CCC1(C=CC=CC1OC=O)O

InChI

InChI=1S/C12H18O3/c1-10(2)6-8-12(14)7-4-3-5-11(12)15-9-13/h3-5,7,9-11,14H,6,8H2,1-2H3