N-[4-[5-oxidanyl-4-oxidanylidene-7-(sulfonatoamino)chromen-3-yl]phenyl]sulfamate

Systemtic Name: N-[4-[5-oxidanyl-4-oxidanylidene-7-(sulfonatoamino)chromen-3-yl]phenyl]sulfamate Openeye Name: N-[4-[5-hydroxy-4-oxo-7-(sulfonatoamino)chromen-3-yl]phenyl]sulfamate CAS Name: N-[4-[5-hydroxy-4-oxo-7-(sulfonatoamino)-1-benzopyran-3-yl]phenyl]sulfamate IUPAC Name: N-[4-[5-hydroxy-4-oxo-7-(sulfonatoamino)chromen-3-yl]phenyl]sulfamate Traditional Name: N-[4-[5-hydroxy-4-keto-7-(sulfonatoamino)chromen-3-yl]phenyl]sulfamate Formula: C15H10N2O9S2-2 MolecularWeight: 426.3779

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=COC3=C(C2=O)C(=CC(=C3)NS(=O)(=O)[O-])O)NS(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=COC3=C(C2=O)C(=CC(=C3)NS(=O)(=O)[O-])O)NS(=O)(=O)[O-]

InChI

InChI=1S/C15H12N2O9S2/c18-12-5-10(17-28(23,24)25)6-13-14(12)15(19)11(7-26-13)8-1-3-9(4-2-8)16-27(20,21)22/h1-7,16-18H,(H,20,21,22)(H,23,24,25)/p-2