3-[bis(oxidanyl)methylidene]-6-chloranyl-2-[(4-methylsulfonylphenyl)methyl]isoquinoline-1,4-dione

Systemtic Name: 3-[bis(oxidanyl)methylidene]-6-chloranyl-2-[(4-methylsulfonylphenyl)methyl]isoquinoline-1,4-dione Openeye Name: 6-chloro-3-(dihydroxymethylene)-2-[(4-methylsulfonylphenyl)methyl]isoquinoline-1,4-dione CAS Name: 6-chloro-3-(dihydroxymethylidene)-2-[(4-methylsulfonylphenyl)methyl]isoquinoline-1,4-dione IUPAC Name: 6-chloro-3-(dihydroxymethylidene)-2-[(4-methylsulfonylphenyl)methyl]isoquinoline-1,4-dione Traditional Name: 6-chloro-3-(dihydroxymethylene)-2-(4-mesylbenzyl)isoquinoline-1,4-quinone Formula: C18H14ClNO6S MolecularWeight: 407.82486

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2C(=C(O)O)C(=O)C3=C(C2=O)C=CC(=C3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2C(=C(O)O)C(=O)C3=C(C2=O)C=CC(=C3)Cl

InChI

InChI=1S/C18H14ClNO6S/c1-27(25,26)12-5-2-10(3-6-12)9-20-15(18(23)24)16(21)14-8-11(19)4-7-13(14)17(20)22/h2-8,23-24H,9H2,1H3