4-azanyl-6-(1-chloroethylsulfonyl)benzene-1,3-disulfonic acid

Systemtic Name: 4-azanyl-6-(1-chloroethylsulfonyl)benzene-1,3-disulfonic acid Openeye Name: 4-amino-6-(1-chloroethylsulfonyl)benzene-1,3-disulfonic acid CAS Name: 4-amino-6-(1-chloroethylsulfonyl)benzene-1,3-disulfonic acid IUPAC Name: 4-amino-6-(1-chloroethylsulfonyl)benzene-1,3-disulfonic acid Traditional Name: 4-amino-6-(1-chloroethylsulfonyl)benzene-1,3-disulfonic acid Formula: C8H10ClNO8S3 MolecularWeight: 379.8149

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Descriptors Computed from Structure

Canonical SMILES:

CC(S(=O)(=O)C1=C(C=C(C(=C1)N)S(=O)(=O)O)S(=O)(=O)O)Cl

Isomeric SMILES

CC(S(=O)(=O)C1=C(C=C(C(=C1)N)S(=O)(=O)O)S(=O)(=O)O)Cl

InChI

InChI=1S/C8H10ClNO8S3/c1-4(9)19(11,12)7-2-5(10)6(20(13,14)15)3-8(7)21(16,17)18/h2-4H,10H2,1H3,(H,13,14,15)(H,16,17,18)