4-[8-[6,7-bis(oxidanyl)naphthalen-2-yl]-8-oxidanylidene-octoxy]-2-oxidanyl-3-propyl-benzoic acid

Systemtic Name: 4-[8-[6,7-bis(oxidanyl)naphthalen-2-yl]-8-oxidanylidene-octoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[8-(6,7-dihydroxy-2-naphthyl)-8-oxo-octoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[8-(6,7-dihydroxy-2-naphthalenyl)-8-oxooctoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[8-(6,7-dihydroxynaphthalen-2-yl)-8-oxooctoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[8-(6,7-dihydroxy-2-naphthyl)-8-keto-octoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C28H32O7 MolecularWeight: 480.54948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32O7/c1-2-8-21-26(13-12-22(27(21)32)28(33)34)35-14-7-5-3-4-6-9-23(29)19-11-10-18-16-24(30)25(31)17-20(18)15-19/h10-13,15-17,30-32H,2-9,14H2,1H3,(H,33,34)