6-[4-[3,4-bis(oxidanyl)phenyl]-4-oxidanylidene-butoxy]naphthalene-2-carboxylic acid

Systemtic Name: 6-[4-[3,4-bis(oxidanyl)phenyl]-4-oxidanylidene-butoxy]naphthalene-2-carboxylic acid Openeye Name: 6-[4-(3,4-dihydroxyphenyl)-4-oxo-butoxy]naphthalene-2-carboxylic acid CAS Name: 6-[4-(3,4-dihydroxyphenyl)-4-oxobutoxy]-2-naphthalenecarboxylic acid IUPAC Name: 6-[4-(3,4-dihydroxyphenyl)-4-oxobutoxy]naphthalene-2-carboxylic acid Traditional Name: 6-[4-(3,4-dihydroxyphenyl)-4-keto-butoxy]-2-naphthoic acid Formula: C21H18O6 MolecularWeight: 366.36402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)OCCCC(=O)C3=CC(=C(C=C3)O)O)C=C1C(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2)OCCCC(=O)C3=CC(=C(C=C3)O)O)C=C1C(=O)O

InChI

InChI=1S/C21H18O6/c22-18(15-6-8-19(23)20(24)12-15)2-1-9-27-17-7-5-13-10-16(21(25)26)4-3-14(13)11-17/h3-8,10-12,23-24H,1-2,9H2,(H,25,26)