4-[6-[6,7-bis(oxidanyl)naphthalen-2-yl]-6-oxidanylidene-hexoxy]-2-oxidanyl-3-propyl-benzoic acid

Systemtic Name: 4-[6-[6,7-bis(oxidanyl)naphthalen-2-yl]-6-oxidanylidene-hexoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[6-(6,7-dihydroxy-2-naphthyl)-6-oxo-hexoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[6-(6,7-dihydroxy-2-naphthalenyl)-6-oxohexoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[6-(6,7-dihydroxynaphthalen-2-yl)-6-oxohexoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[6-(6,7-dihydroxy-2-naphthyl)-6-keto-hexoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C26H28O7 MolecularWeight: 452.49632

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCC(=O)C2=CC3=CC(=C(C=C3C=C2)O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCC(=O)C2=CC3=CC(=C(C=C3C=C2)O)O

InChI

InChI=1S/C26H28O7/c1-2-6-19-24(11-10-20(25(19)30)26(31)32)33-12-5-3-4-7-21(27)17-9-8-16-14-22(28)23(29)15-18(16)13-17/h8-11,13-15,28-30H,2-7,12H2,1H3,(H,31,32)