methyl (3S)-4-[3-methyl-5-oxidanyl-1,4-bis(oxidanylidene)naphthalen-2-yl]-3-oxidanyl-butanoate

Systemtic Name: methyl (3S)-4-[3-methyl-5-oxidanyl-1,4-bis(oxidanylidene)naphthalen-2-yl]-3-oxidanyl-butanoate Openeye Name: methyl (3S)-3-hydroxy-4-(5-hydroxy-3-methyl-1,4-dioxo-2-naphthyl)butanoate CAS Name: (3S)-3-hydroxy-4-(5-hydroxy-3-methyl-1,4-dioxo-2-naphthalenyl)butanoic acid methyl ester IUPAC Name: methyl (3S)-3-hydroxy-4-(5-hydroxy-3-methyl-1,4-dioxonaphthalen-2-yl)butanoate Traditional Name: (3S)-3-hydroxy-4-(5-hydroxy-1,4-diketo-3-methyl-2-naphthyl)butyric acid methyl ester Formula: C16H16O6 MolecularWeight: 304.29464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(C1=O)C(=CC=C2)O)CC(CC(=O)OC)O

Isomeric SMILES

CC1=C(C(=O)C2=C(C1=O)C(=CC=C2)O)C[C@@H](CC(=O)OC)O

InChI

InChI=1S/C16H16O6/c1-8-11(6-9(17)7-13(19)22-2)16(21)10-4-3-5-12(18)14(10)15(8)20/h3-5,9,17-18H,6-7H2,1-2H3/t9-/m0/s1