sodium [4-(7-methoxy-3-methyl-5-oxidanyl-4-oxidanylidene-chromen-2-yl)-2-oxidanyl-phenyl] sulfite

Systemtic Name: sodium [4-(7-methoxy-3-methyl-5-oxidanyl-4-oxidanylidene-chromen-2-yl)-2-oxidanyl-phenyl] sulfite Openeye Name: sodium [2-hydroxy-4-(5-hydroxy-7-methoxy-3-methyl-4-oxo-chromen-2-yl)phenyl] sulfite CAS Name: sodium [2-hydroxy-4-(5-hydroxy-7-methoxy-3-methyl-4-oxo-1-benzopyran-2-yl)phenyl] sulfite IUPAC Name: sodium [2-hydroxy-4-(5-hydroxy-7-methoxy-3-methyl-4-oxochromen-2-yl)phenyl] sulfite Traditional Name: sodium [2-hydroxy-4-(5-hydroxy-4-keto-7-methoxy-3-methyl-chromen-2-yl)phenyl] sulfite Formula: C17H13NaO8S MolecularWeight: 400.33509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC(=CC(=C2C1=O)O)OC)C3=CC(=C(C=C3)OS(=O)[O-])O.[Na+]

Isomeric SMILES

CC1=C(OC2=CC(=CC(=C2C1=O)O)OC)C3=CC(=C(C=C3)OS(=O)[O-])O.[Na+]

InChI

InChI=1S/C17H14O8S.Na/c1-8-16(20)15-12(19)6-10(23-2)7-14(15)24-17(8)9-3-4-13(11(18)5-9)25-26(21)22;/h3-7,18-19H,1-2H3,(H,21,22);/q;+1/p-1