N-[2-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-4-oxidanylidene-chromen-6-yl]-3-chloranyl-propane-1-sulfonamide

Systemtic Name: N-[2-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-4-oxidanylidene-chromen-6-yl]-3-chloranyl-propane-1-sulfonamide Openeye Name: 3-chloro-N-[2-(3,4-dihydroxyphenyl)-3-hydroxy-4-oxo-chromen-6-yl]propane-1-sulfonamide CAS Name: 3-chloro-N-[2-(3,4-dihydroxyphenyl)-3-hydroxy-4-oxo-1-benzopyran-6-yl]-1-propanesulfonamide IUPAC Name: 3-chloro-N-[2-(3,4-dihydroxyphenyl)-3-hydroxy-4-oxochromen-6-yl]propane-1-sulfonamide Traditional Name: 3-chloro-N-[2-(3,4-dihydroxyphenyl)-3-hydroxy-4-keto-chromen-6-yl]propane-1-sulfonamide Formula: C18H16ClNO7S MolecularWeight: 425.84014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=CC(=C3)NS(=O)(=O)CCCCl)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=CC(=C3)NS(=O)(=O)CCCCl)O)O)O

InChI

InChI=1S/C18H16ClNO7S/c19-6-1-7-28(25,26)20-11-3-5-15-12(9-11)16(23)17(24)18(27-15)10-2-4-13(21)14(22)8-10/h2-5,8-9,20-22,24H,1,6-7H2