3-(3-methyl-4-oxidanyl-4-oxidanylidene-1-phenoxy-butoxy)benzoic acid

Systemtic Name: 3-(3-methyl-4-oxidanyl-4-oxidanylidene-1-phenoxy-butoxy)benzoic acid Openeye Name: 3-(4-hydroxy-3-methyl-4-oxo-1-phenoxy-butoxy)benzoic acid CAS Name: 3-(4-hydroxy-3-methyl-4-oxo-1-phenoxybutoxy)benzoic acid IUPAC Name: 3-(4-hydroxy-3-methyl-4-oxo-1-phenoxybutoxy)benzoic acid Traditional Name: 3-(4-hydroxy-4-keto-3-methyl-1-phenoxy-butoxy)benzoic acid Formula: C18H18O6 MolecularWeight: 330.33192

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(OC1=CC=CC=C1)OC2=CC=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC(CC(OC1=CC=CC=C1)OC2=CC=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H18O6/c1-12(17(19)20)10-16(23-14-7-3-2-4-8-14)24-15-9-5-6-13(11-15)18(21)22/h2-9,11-12,16H,10H2,1H3,(H,19,20)(H,21,22)