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

Systemtic Name: 1-[5,8-bis(oxidanyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]decyl octanoate Openeye Name: 1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)decyl octanoate CAS Name: octanoic acid 1-(5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)decyl ester IUPAC Name: 1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)decyl octanoate Traditional Name: caprylic acid 1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)decyl ester Formula: C28H40O6 MolecularWeight: 472.6136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)CCCCCCC

InChI

InChI=1S/C28H40O6/c1-3-5-7-9-10-12-13-15-24(34-25(32)16-14-11-8-6-4-2)20-19-23(31)26-21(29)17-18-22(30)27(26)28(20)33/h17-19,24,29-30H,3-16H2,1-2H3