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

Systemtic Name: 4-[8-[6,7-bis(oxidanyl)naphthalen-2-yl]octoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[8-(6,7-dihydroxy-2-naphthyl)octoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[8-(6,7-dihydroxy-2-naphthalenyl)octoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[8-(6,7-dihydroxynaphthalen-2-yl)octoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[8-(6,7-dihydroxy-2-naphthyl)octoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C28H34O6 MolecularWeight: 466.56596

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCCCCC2=CC3=CC(=C(C=C3C=C2)O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCCCCC2=CC3=CC(=C(C=C3C=C2)O)O

InChI

InChI=1S/C28H34O6/c1-2-9-22-26(14-13-23(27(22)31)28(32)33)34-15-8-6-4-3-5-7-10-19-11-12-20-17-24(29)25(30)18-21(20)16-19/h11-14,16-18,29-31H,2-10,15H2,1H3,(H,32,33)