2-(2-ethyl-4-oxidanyl-hexoxy)carbonylbenzoic acid

Systemtic Name: 2-(2-ethyl-4-oxidanyl-hexoxy)carbonylbenzoic acid Openeye Name: 2-(2-ethyl-4-hydroxy-hexoxy)carbonylbenzoic acid CAS Name: 2-[(2-ethyl-4-hydroxyhexoxy)-oxomethyl]benzoic acid IUPAC Name: 2-(2-ethyl-4-hydroxyhexoxy)carbonylbenzoic acid Traditional Name: 2-(2-ethyl-4-hydroxy-hexoxy)carbonylbenzoic acid Formula: C16H22O5 MolecularWeight: 294.34288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC)O)COC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CCC(CC(CC)O)COC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C16H22O5/c1-3-11(9-12(17)4-2)10-21-16(20)14-8-6-5-7-13(14)15(18)19/h5-8,11-12,17H,3-4,9-10H2,1-2H3,(H,18,19)