4-azanyl-2-chloranyl-5-methoxycarbonyl-benzenesulfonic acid

Systemtic Name: 4-azanyl-2-chloranyl-5-methoxycarbonyl-benzenesulfonic acid Openeye Name: 4-amino-2-chloro-5-methoxycarbonyl-benzenesulfonic acid CAS Name: 4-amino-2-chloro-5-methoxycarbonylbenzenesulfonic acid IUPAC Name: 4-amino-2-chloro-5-methoxycarbonylbenzenesulfonic acid Traditional Name: 4-amino-5-carbomethoxy-2-chloro-besylic acid Formula: C8H8ClNO5S MolecularWeight: 265.67082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1N)Cl)S(=O)(=O)O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1N)Cl)S(=O)(=O)O

InChI

InChI=1S/C8H8ClNO5S/c1-15-8(11)4-2-7(16(12,13)14)5(9)3-6(4)10/h2-3H,10H2,1H3,(H,12,13,14)