4-[5-[6,7-bis(oxidanyl)naphthalen-2-yl]-5-oxidanylidene-pentoxy]-2-oxidanyl-3-propyl-benzoic acid

Systemtic Name: 4-[5-[6,7-bis(oxidanyl)naphthalen-2-yl]-5-oxidanylidene-pentoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[5-(6,7-dihydroxy-2-naphthyl)-5-oxo-pentoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[5-(6,7-dihydroxy-2-naphthalenyl)-5-oxopentoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[5-(6,7-dihydroxynaphthalen-2-yl)-5-oxopentoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[5-(6,7-dihydroxy-2-naphthyl)-5-keto-pentoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C25H26O7 MolecularWeight: 438.46974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26O7/c1-2-5-18-23(10-9-19(24(18)29)25(30)31)32-11-4-3-6-20(26)16-8-7-15-13-21(27)22(28)14-17(15)12-16/h7-10,12-14,27-29H,2-6,11H2,1H3,(H,30,31)