2-[4-(1-oxidanyl-1-oxidanylidene-heptan-2-yl)phenoxy]benzoic acid

Systemtic Name: 2-[4-(1-oxidanyl-1-oxidanylidene-heptan-2-yl)phenoxy]benzoic acid Openeye Name: 2-[4-(1-carboxyhexyl)phenoxy]benzoic acid CAS Name: 2-[4-(1-hydroxy-1-oxoheptan-2-yl)phenoxy]benzoic acid IUPAC Name: 2-[4-(1-hydroxy-1-oxoheptan-2-yl)phenoxy]benzoic acid Traditional Name: 2-[4-(1-carboxyhexyl)phenoxy]benzoic acid Formula: C20H22O5 MolecularWeight: 342.38568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)O)C(=O)O

Isomeric SMILES

CCCCCC(C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)O)C(=O)O

InChI

InChI=1S/C20H22O5/c1-2-3-4-7-16(19(21)22)14-10-12-15(13-11-14)25-18-9-6-5-8-17(18)20(23)24/h5-6,8-13,16H,2-4,7H2,1H3,(H,21,22)(H,23,24)