5-[1,4-bis(oxidanylidene)-3-(5-oxidanyl-5-oxidanylidene-pentyl)naphthalen-2-yl]pentanoic acid

Systemtic Name: 5-[1,4-bis(oxidanylidene)-3-(5-oxidanyl-5-oxidanylidene-pentyl)naphthalen-2-yl]pentanoic acid Openeye Name: 5-[3-(5-hydroxy-5-oxo-pentyl)-1,4-dioxo-2-naphthyl]pentanoic acid CAS Name: 5-[3-(5-hydroxy-5-oxopentyl)-1,4-dioxo-2-naphthalenyl]pentanoic acid IUPAC Name: 5-[3-(5-hydroxy-5-oxopentyl)-1,4-dioxonaphthalen-2-yl]pentanoic acid Traditional Name: 5-[3-(5-hydroxy-5-keto-pentyl)-1,4-diketo-2-naphthyl]valeric acid Formula: C20H22O6 MolecularWeight: 358.38508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)CCCCC(=O)O)CCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)CCCCC(=O)O)CCCCC(=O)O

InChI

InChI=1S/C20H22O6/c21-17(22)11-5-3-9-15-16(10-4-6-12-18(23)24)20(26)14-8-2-1-7-13(14)19(15)25/h1-2,7-8H,3-6,9-12H2,(H,21,22)(H,23,24)