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

Systemtic Name: 4-[aminocarbonyl-(3-ethenylsulfonylphenyl)amino]-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 4-(N-carbamoyl-3-vinylsulfonyl-anilino)-5-hydroxy-naphthalene-1,7-disulfonic acid CAS Name: 4-(N-carbamoyl-3-ethenylsulfonylanilino)-5-hydroxynaphthalene-1,7-disulfonic acid IUPAC Name: 4-(N-carbamoyl-3-ethenylsulfonylanilino)-5-hydroxynaphthalene-1,7-disulfonic acid Traditional Name: 4-(N-carbamoyl-3-vinylsulfonyl-anilino)-5-hydroxy-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)N(C2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)O)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O10S3/c1-2-32(24,25)12-5-3-4-11(8-12)21(19(20)23)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,(H2,20,23)(H,26,27,28)(H,29,30,31)