4-[(3-methylsulfanylphenyl)carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-[(3-methylsulfanylphenyl)carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-hydroxy-5-[(3-methylsulfanylbenzoyl)amino]naphthalene-2,7-disulfonic acid CAS Name: 4-hydroxy-5-[[[3-(methylthio)phenyl]-oxomethyl]amino]naphthalene-2,7-disulfonic acid IUPAC Name: 4-hydroxy-5-[(3-methylsulfanylbenzoyl)amino]naphthalene-2,7-disulfonic acid Traditional Name: 4-hydroxy-5-[[3-(methylthio)benzoyl]amino]naphthalene-2,7-disulfonic acid Formula: C18H15NO8S3 MolecularWeight: 469.5086

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O

Isomeric SMILES

CSC1=CC=CC(=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O

InChI

InChI=1S/C18H15NO8S3/c1-28-12-4-2-3-10(5-12)18(21)19-15-8-13(29(22,23)24)6-11-7-14(30(25,26)27)9-16(20)17(11)15/h2-9,20H,1H3,(H,19,21)(H,22,23,24)(H,25,26,27)