ethane-1,2-diol; 4-[[4-(hydroxymethyl)cyclohexyl]methoxycarbonyl]benzoic acid

Systemtic Name: ethane-1,2-diol; 4-[[4-(hydroxymethyl)cyclohexyl]methoxycarbonyl]benzoic acid Openeye Name: ethylene glycol; 4-[[4-(hydroxymethyl)cyclohexyl]methoxycarbonyl]benzoic acid CAS Name: ethane-1,2-diol; 4-[[4-(hydroxymethyl)cyclohexyl]methoxy-oxomethyl]benzoic acid IUPAC Name: ethane-1,2-diol; 4-[[4-(hydroxymethyl)cyclohexyl]methoxycarbonyl]benzoic acid Traditional Name: ethylene glycol; 4-[(4-methylolcyclohexyl)methoxycarbonyl]benzoic acid Formula: C18H26O7 MolecularWeight: 354.39484

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CO)COC(=O)C2=CC=C(C=C2)C(=O)O.C(CO)O

Isomeric SMILES

C1CC(CCC1CO)COC(=O)C2=CC=C(C=C2)C(=O)O.C(CO)O

InChI

InChI=1S/C16H20O5.C2H6O2/c17-9-11-1-3-12(4-2-11)10-21-16(20)14-7-5-13(6-8-14)15(18)19;3-1-2-4/h5-8,11-12,17H,1-4,9-10H2,(H,18,19);3-4H,1-2H2