4-[2-(hydroxymethyl)heptoxycarbonyl]benzoic acid

Systemtic Name: 4-[2-(hydroxymethyl)heptoxycarbonyl]benzoic acid Openeye Name: 4-[2-(hydroxymethyl)heptoxycarbonyl]benzoic acid CAS Name: 4-[2-(hydroxymethyl)heptoxy-oxomethyl]benzoic acid IUPAC Name: 4-[2-(hydroxymethyl)heptoxycarbonyl]benzoic acid Traditional Name: 4-(2-methylolheptoxycarbonyl)benzoic acid Formula: C16H22O5 MolecularWeight: 294.34288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CO)COC(=O)C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCCC(CO)COC(=O)C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C16H22O5/c1-2-3-4-5-12(10-17)11-21-16(20)14-8-6-13(7-9-14)15(18)19/h6-9,12,17H,2-5,10-11H2,1H3,(H,18,19)