4-[[2-(hydroxymethyl)cyclohexen-1-yl]methoxycarbonyl]benzoic acid

Systemtic Name: 4-[[2-(hydroxymethyl)cyclohexen-1-yl]methoxycarbonyl]benzoic acid Openeye Name: 4-[[2-(hydroxymethyl)cyclohexen-1-yl]methoxycarbonyl]benzoic acid CAS Name: 4-[[2-(hydroxymethyl)-1-cyclohexenyl]methoxy-oxomethyl]benzoic acid IUPAC Name: 4-[[2-(hydroxymethyl)cyclohexen-1-yl]methoxycarbonyl]benzoic acid Traditional Name: 4-[(2-methylolcyclohexen-1-yl)methoxycarbonyl]benzoic acid Formula: C16H18O5 MolecularWeight: 290.31112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)CO)COC(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CCC(=C(C1)CO)COC(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H18O5/c17-9-13-3-1-2-4-14(13)10-21-16(20)12-7-5-11(6-8-12)15(18)19/h5-8,17H,1-4,9-10H2,(H,18,19)