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

Systemtic Name: 4-[7-[6,7-bis(oxidanyl)naphthalen-2-yl]heptoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[7-(6,7-dihydroxy-2-naphthyl)heptoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[7-(6,7-dihydroxy-2-naphthalenyl)heptoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[7-(6,7-dihydroxynaphthalen-2-yl)heptoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[7-(6,7-dihydroxy-2-naphthyl)heptoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C27H32O6 MolecularWeight: 452.53938

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCCCC2=CC3=CC(=C(C=C3C=C2)O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCCCC2=CC3=CC(=C(C=C3C=C2)O)O

InChI

InChI=1S/C27H32O6/c1-2-8-21-25(13-12-22(26(21)30)27(31)32)33-14-7-5-3-4-6-9-18-10-11-19-16-23(28)24(29)17-20(19)15-18/h10-13,15-17,28-30H,2-9,14H2,1H3,(H,31,32)