[(1S)-1-[5,8-bis(oxidanyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]-3-methyl-but-2-enyl] 2-methylbutanoate

Systemtic Name: [(1S)-1-[5,8-bis(oxidanyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]-3-methyl-but-2-enyl] 2-methylbutanoate Openeye Name: [(1S)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-3-methyl-but-2-enyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [(1S)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-3-methylbut-2-enyl] ester IUPAC Name: [(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-3-methylbut-2-enyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [(1S)-1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)-3-methyl-but-2-enyl] ester Formula: C20H22O6 MolecularWeight: 358.38508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)C(=O)O[C@@H](C=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O

InChI

InChI=1S/C20H22O6/c1-5-11(4)20(25)26-16(8-10(2)3)12-9-15(23)17-13(21)6-7-14(22)18(17)19(12)24/h6-9,11,16,21-22H,5H2,1-4H3/t11?,16-/m0/s1