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

Systemtic Name: 4-[6-[6,7-bis(oxidanyl)naphthalen-2-yl]-6-oxidanylidene-hexoxy]-3-propyl-benzoic acid Openeye Name: 4-[6-(6,7-dihydroxy-2-naphthyl)-6-oxo-hexoxy]-3-propyl-benzoic acid CAS Name: 4-[6-(6,7-dihydroxy-2-naphthalenyl)-6-oxohexoxy]-3-propylbenzoic acid IUPAC Name: 4-[6-(6,7-dihydroxynaphthalen-2-yl)-6-oxohexoxy]-3-propylbenzoic acid Traditional Name: 4-[6-(6,7-dihydroxy-2-naphthyl)-6-keto-hexoxy]-3-propyl-benzoic acid Formula: C26H28O6 MolecularWeight: 436.49692

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)O)OCCCCCC(=O)C2=CC3=CC(=C(C=C3C=C2)O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)O)OCCCCCC(=O)C2=CC3=CC(=C(C=C3C=C2)O)O

InChI

InChI=1S/C26H28O6/c1-2-6-19-14-20(26(30)31)10-11-25(19)32-12-5-3-4-7-22(27)18-9-8-17-15-23(28)24(29)16-21(17)13-18/h8-11,13-16,28-29H,2-7,12H2,1H3,(H,30,31)