4-[(3-ethenylsulfonylphenyl)carbamoylamino]-5-oxidanyl-naphthalene-1,7-disulfonic acid

Systemtic Name: 4-[(3-ethenylsulfonylphenyl)carbamoylamino]-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 5-hydroxy-4-[(3-vinylsulfonylphenyl)carbamoylamino]naphthalene-1,7-disulfonic acid CAS Name: 4-[[(3-ethenylsulfonylanilino)-oxomethyl]amino]-5-hydroxynaphthalene-1,7-disulfonic acid IUPAC Name: 4-[(3-ethenylsulfonylphenyl)carbamoylamino]-5-hydroxynaphthalene-1,7-disulfonic acid Traditional Name: 5-hydroxy-4-[(3-vinylsulfonylphenyl)carbamoylamino]naphthalene-1,7-disulfonic acid Formula: C19H16N2O10S3 MolecularWeight: 528.53274

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Descriptors Computed from Structure

Canonical SMILES:

C=CS(=O)(=O)C1=CC=CC(=C1)NC(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

C=CS(=O)(=O)C1=CC=CC(=C1)NC(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C19H16N2O10S3/c1-2-32(24,25)12-5-3-4-11(8-12)20-19(23)21-15-6-7-17(34(29,30)31)14-9-13(33(26,27)28)10-16(22)18(14)15/h2-10,22H,1H2,(H2,20,21,23)(H,26,27,28)(H,29,30,31)