sodium [6-carboxy-2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4,5-bis(oxidanyl)oxan-3-yl] sulfate

Systemtic Name: sodium [6-carboxy-2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4,5-bis(oxidanyl)oxan-3-yl] sulfate Openeye Name: sodium [6-carboxy-4,5-dihydroxy-2-(4-methyl-2-oxo-chromen-7-yl)oxy-tetrahydropyran-3-yl] sulfate CAS Name: sodium [6-carboxy-4,5-dihydroxy-2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-3-oxanyl] sulfate IUPAC Name: sodium [6-carboxy-4,5-dihydroxy-2-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl] sulfate Traditional Name: sodium [6-carboxy-4,5-dihydroxy-2-(2-keto-4-methyl-chromen-7-yl)oxy-tetrahydropyran-3-yl] sulfate Formula: C16H15NaO12S MolecularWeight: 454.33787

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)C(=O)O)O)O)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)C(=O)O)O)O)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H16O12S.Na/c1-6-4-10(17)26-9-5-7(2-3-8(6)9)25-16-14(28-29(22,23)24)12(19)11(18)13(27-16)15(20)21;/h2-5,11-14,16,18-19H,1H3,(H,20,21)(H,22,23,24);/q;+1/p-1