5-[(5-aminocarbonylsulfanyl-4-methyl-2-oxidanyl-phenyl)carbamoyl]benzene-1,3-disulfonic acid

Systemtic Name: 5-[(5-aminocarbonylsulfanyl-4-methyl-2-oxidanyl-phenyl)carbamoyl]benzene-1,3-disulfonic acid Openeye Name: 5-[(5-carbamoylsulfanyl-2-hydroxy-4-methyl-phenyl)carbamoyl]benzene-1,3-disulfonic acid CAS Name: 5-[[5-(carbamoylthio)-2-hydroxy-4-methylanilino]-oxomethyl]benzene-1,3-disulfonic acid IUPAC Name: 5-[(5-carbamoylsulfanyl-2-hydroxy-4-methylphenyl)carbamoyl]benzene-1,3-disulfonic acid Traditional Name: 5-[[5-(carbamoylthio)-2-hydroxy-4-methyl-phenyl]carbamoyl]benzene-1,3-disulfonic acid Formula: C15H14N2O9S3 MolecularWeight: 462.47466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1SC(=O)N)NC(=O)C2=CC(=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1SC(=O)N)NC(=O)C2=CC(=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C15H14N2O9S3/c1-7-2-12(18)11(6-13(7)27-15(16)20)17-14(19)8-3-9(28(21,22)23)5-10(4-8)29(24,25)26/h2-6,18H,1H3,(H2,16,20)(H,17,19)(H,21,22,23)(H,24,25,26)