3-(8-ethyl-9-methyl-decan-3-yl)oxycarbonylbenzoic acid

Systemtic Name: 3-(8-ethyl-9-methyl-decan-3-yl)oxycarbonylbenzoic acid Openeye Name: 3-(1,6-diethyl-7-methyl-octoxy)carbonylbenzoic acid CAS Name: 3-[(8-ethyl-9-methyldecan-3-yl)oxy-oxomethyl]benzoic acid IUPAC Name: 3-(8-ethyl-9-methyldecan-3-yl)oxycarbonylbenzoic acid Traditional Name: 3-(1,6-diethyl-7-methyl-octoxy)carbonylbenzoic acid Formula: C21H32O4 MolecularWeight: 348.47638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCC(CC)OC(=O)C1=CC=CC(=C1)C(=O)O)C(C)C

Isomeric SMILES

CCC(CCCCC(CC)OC(=O)C1=CC=CC(=C1)C(=O)O)C(C)C

InChI

InChI=1S/C21H32O4/c1-5-16(15(3)4)10-7-8-13-19(6-2)25-21(24)18-12-9-11-17(14-18)20(22)23/h9,11-12,14-16,19H,5-8,10,13H2,1-4H3,(H,22,23)