2-azanyl-5-(4-ethenylsulfonylbutanoylamino)benzene-1,4-disulfonic acid

Systemtic Name: 2-azanyl-5-(4-ethenylsulfonylbutanoylamino)benzene-1,4-disulfonic acid Openeye Name: 2-amino-5-(4-vinylsulfonylbutanoylamino)benzene-1,4-disulfonic acid CAS Name: 2-amino-5-[(4-ethenylsulfonyl-1-oxobutyl)amino]benzene-1,4-disulfonic acid IUPAC Name: 2-amino-5-(4-ethenylsulfonylbutanoylamino)benzene-1,4-disulfonic acid Traditional Name: 2-amino-5-(4-vinylsulfonylbutanoylamino)benzene-1,4-disulfonic acid Formula: C12H16N2O9S3 MolecularWeight: 428.45844

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Descriptors Computed from Structure

Canonical SMILES:

C=CS(=O)(=O)CCCC(=O)NC1=C(C=C(C(=C1)S(=O)(=O)O)N)S(=O)(=O)O

Isomeric SMILES

C=CS(=O)(=O)CCCC(=O)NC1=C(C=C(C(=C1)S(=O)(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C12H16N2O9S3/c1-2-24(16,17)5-3-4-12(15)14-9-7-10(25(18,19)20)8(13)6-11(9)26(21,22)23/h2,6-7H,1,3-5,13H2,(H,14,15)(H,18,19,20)(H,21,22,23)