3-[5-[6,7-bis(oxidanyl)naphthalen-2-yl]-5-oxidanylidene-pentyl]-6-oxidanyl-4-oxidanylidene-5-propyl-cyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name: 3-[5-[6,7-bis(oxidanyl)naphthalen-2-yl]-5-oxidanylidene-pentyl]-6-oxidanyl-4-oxidanylidene-5-propyl-cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: 3-[5-(6,7-dihydroxy-2-naphthyl)-5-oxo-pentyl]-6-hydroxy-4-oxo-5-propyl-cyclohexa-1,5-diene-1-carboxylic acid CAS Name: 3-[5-(6,7-dihydroxy-2-naphthalenyl)-5-oxopentyl]-6-hydroxy-4-oxo-5-propyl-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: 3-[5-(6,7-dihydroxynaphthalen-2-yl)-5-oxopentyl]-6-hydroxy-4-oxo-5-propylcyclohexa-1,5-diene-1-carboxylic acid Traditional Name: 3-[5-(6,7-dihydroxy-2-naphthyl)-5-keto-pentyl]-6-hydroxy-4-keto-5-propyl-cyclohexa-1,5-diene-1-carboxylic acid Formula: C25H26O7 MolecularWeight: 438.46974

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(C1=O)CCCCC(=O)C2=CC3=CC(=C(C=C3C=C2)O)O)C(=O)O)O

Isomeric SMILES

CCCC1=C(C(=CC(C1=O)CCCCC(=O)C2=CC3=CC(=C(C=C3C=C2)O)O)C(=O)O)O

InChI

InChI=1S/C25H26O7/c1-2-5-18-23(29)16(11-19(24(18)30)25(31)32)6-3-4-7-20(26)15-9-8-14-12-21(27)22(28)13-17(14)10-15/h8-13,16,27-28,30H,2-7H2,1H3,(H,31,32)