4-[9-[6,7-bis(oxidanyl)naphthalen-2-yl]nonoxy]-2-oxidanyl-3-propyl-benzoic acid

Systemtic Name: 4-[9-[6,7-bis(oxidanyl)naphthalen-2-yl]nonoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[9-(6,7-dihydroxy-2-naphthyl)nonoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[9-(6,7-dihydroxy-2-naphthalenyl)nonoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[9-(6,7-dihydroxynaphthalen-2-yl)nonoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[9-(6,7-dihydroxy-2-naphthyl)nonoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C29H36O6 MolecularWeight: 480.59254

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCCCCCC2=CC3=CC(=C(C=C3C=C2)O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCCCCCC2=CC3=CC(=C(C=C3C=C2)O)O

InChI

InChI=1S/C29H36O6/c1-2-10-23-27(15-14-24(28(23)32)29(33)34)35-16-9-7-5-3-4-6-8-11-20-12-13-21-18-25(30)26(31)19-22(21)17-20/h12-15,17-19,30-32H,2-11,16H2,1H3,(H,33,34)