sodium [6-methoxy-3-methyl-1,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl] sulfate

Systemtic Name: sodium [6-methoxy-3-methyl-1,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl] sulfate Openeye Name: sodium (1,8-dihydroxy-6-methoxy-3-methyl-9,10-dioxo-2-anthryl) sulfate CAS Name: sodium (1,8-dihydroxy-6-methoxy-3-methyl-9,10-dioxo-2-anthracenyl) sulfate IUPAC Name: sodium (1,8-dihydroxy-6-methoxy-3-methyl-9,10-dioxoanthracen-2-yl) sulfate Traditional Name: sodium (1,8-dihydroxy-9,10-diketo-6-methoxy-3-methyl-2-anthryl) sulfate Formula: C16H11NaO9S MolecularWeight: 402.30791

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)OC)O)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)OC)O)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H12O9S.Na/c1-6-3-8-12(15(20)16(6)25-26(21,22)23)14(19)11-9(13(8)18)4-7(24-2)5-10(11)17;/h3-5,17,20H,1-2H3,(H,21,22,23);/q;+1/p-1