3-chloranylaniline; 3-methoxy-4-(sulfonylamino)benzenesulfonic acid

Systemtic Name: 3-chloranylaniline; 3-methoxy-4-(sulfonylamino)benzenesulfonic acid Openeye Name: 3-chloroaniline; 3-methoxy-4-(sulfonylamino)benzenesulfonic acid CAS Name: 3-chloroaniline; 3-methoxy-4-(sulfonylamino)benzenesulfonic acid IUPAC Name: 3-chloroaniline; 3-methoxy-4-(sulfonylamino)benzenesulfonic acid Traditional Name: (3-chlorophenyl)amine; 3-methoxy-4-(sulfonylamino)besylic acid Formula: C13H13ClN2O6S2 MolecularWeight: 392.83512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)O)N=S(=O)=O.C1=CC(=CC(=C1)Cl)N

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)O)N=S(=O)=O.C1=CC(=CC(=C1)Cl)N

InChI

InChI=1S/C7H7NO6S2.C6H6ClN/c1-14-7-4-5(16(11,12)13)2-3-6(7)8-15(9)10;7-5-2-1-3-6(8)4-5/h2-4H,1H3,(H,11,12,13);1-4H,8H2