2-(1-butoxy-2-oxidanyl-hexoxy)carbonylbenzoic acid

Systemtic Name: 2-(1-butoxy-2-oxidanyl-hexoxy)carbonylbenzoic acid Openeye Name: 2-(1-butoxy-2-hydroxy-hexoxy)carbonylbenzoic acid CAS Name: 2-[(1-butoxy-2-hydroxyhexoxy)-oxomethyl]benzoic acid IUPAC Name: 2-(1-butoxy-2-hydroxyhexoxy)carbonylbenzoic acid Traditional Name: 2-(1-butoxy-2-hydroxy-hexoxy)carbonylbenzoic acid Formula: C18H25O6 MolecularWeight: 337.3875

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC([C](OCCCC)OC(=O)C1=CC=CC=C1C(=O)O)O

Isomeric SMILES

CCCCC([C](OCCCC)OC(=O)C1=CC=CC=C1C(=O)O)O

InChI

InChI=1S/C18H25O6/c1-3-5-11-15(19)18(23-12-6-4-2)24-17(22)14-10-8-7-9-13(14)16(20)21/h7-10,15,19H,3-6,11-12H2,1-2H3,(H,20,21)