1-[5,8-bis(oxidanyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]tridecyl butanoate

Systemtic Name: 1-[5,8-bis(oxidanyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]tridecyl butanoate Openeye Name: 1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)tridecyl butanoate CAS Name: butanoic acid 1-(5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)tridecyl ester IUPAC Name: 1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)tridecyl butanoate Traditional Name: butyric acid 1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)tridecyl ester Formula: C27H38O6 MolecularWeight: 458.58702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)CCC

InChI

InChI=1S/C27H38O6/c1-3-5-6-7-8-9-10-11-12-13-15-23(33-24(31)14-4-2)19-18-22(30)25-20(28)16-17-21(29)26(25)27(19)32/h16-18,23,28-29H,3-15H2,1-2H3