(E)-4-[5-chloranyl-1-(phenylsulfonyl)indol-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-4-[5-chloranyl-1-(phenylsulfonyl)indol-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[1-(benzenesulfonyl)-5-chloro-indol-3-yl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[1-(benzenesulfonyl)-5-chloro-3-indolyl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[1-(benzenesulfonyl)-5-chloroindol-3-yl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-(1-besyl-5-chloro-indol-3-yl)-4-hydroxy-2-keto-but-3-enoic acid Formula: C18H12ClNO6S MolecularWeight: 405.80898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Cl)C(=CC(=O)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Cl)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C18H12ClNO6S/c19-11-6-7-15-13(8-11)14(16(21)9-17(22)18(23)24)10-20(15)27(25,26)12-4-2-1-3-5-12/h1-10,21H,(H,23,24)/b16-9+