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

Systemtic Name: 4-[(3-methylsulfonylphenyl)carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-hydroxy-5-[(3-methylsulfonylbenzoyl)amino]naphthalene-2,7-disulfonic acid CAS Name: 4-hydroxy-5-[[(3-methylsulfonylphenyl)-oxomethyl]amino]naphthalene-2,7-disulfonic acid IUPAC Name: 4-hydroxy-5-[(3-methylsulfonylbenzoyl)amino]naphthalene-2,7-disulfonic acid Traditional Name: 4-hydroxy-5-[(3-mesylbenzoyl)amino]naphthalene-2,7-disulfonic acid Formula: C18H15NO10S3 MolecularWeight: 501.5074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO10S3/c1-30(22,23)12-4-2-3-10(5-12)18(21)19-15-8-13(31(24,25)26)6-11-7-14(32(27,28)29)9-16(20)17(11)15/h2-9,20H,1H3,(H,19,21)(H,24,25,26)(H,27,28,29)