[6-butanoyl-4,5-bis(oxidanyl)-7,8-bis(oxidanylidene)naphthalen-2-yl] hydrogen sulfate

Systemtic Name: [6-butanoyl-4,5-bis(oxidanyl)-7,8-bis(oxidanylidene)naphthalen-2-yl] hydrogen sulfate Openeye Name: (6-butanoyl-4,5-dihydroxy-7,8-dioxo-2-naphthyl) hydrogen sulfate CAS Name: sulfuric acid [4,5-dihydroxy-7,8-dioxo-6-(1-oxobutyl)-2-naphthalenyl] ester IUPAC Name: (6-butanoyl-4,5-dihydroxy-7,8-dioxonaphthalen-2-yl) hydrogen sulfate Traditional Name: sulfuric acid (6-butyryl-4,5-dihydroxy-7,8-diketo-2-naphthyl) ester Formula: C14H12O9S MolecularWeight: 356.30468

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C2=C(C=C(C=C2C(=O)C1=O)OS(=O)(=O)O)O)O

Isomeric SMILES

CCCC(=O)C1=C(C2=C(C=C(C=C2C(=O)C1=O)OS(=O)(=O)O)O)O

InChI

InChI=1S/C14H12O9S/c1-2-3-8(15)11-13(18)10-7(12(17)14(11)19)4-6(5-9(10)16)23-24(20,21)22/h4-5,16,18H,2-3H2,1H3,(H,20,21,22)