3-[(3-chlorophenyl)-(2-oxidanyl-3-sulfo-propyl)amino]-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-[(3-chlorophenyl)-(2-oxidanyl-3-sulfo-propyl)amino]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 3-(3-chloro-N-(2-hydroxy-3-sulfo-propyl)anilino)-2-hydroxy-propane-1-sulfonic acid CAS Name: 3-(3-chloro-N-(2-hydroxy-3-sulfopropyl)anilino)-2-hydroxy-1-propanesulfonic acid IUPAC Name: 3-(3-chloro-N-(2-hydroxy-3-sulfopropyl)anilino)-2-hydroxypropane-1-sulfonic acid Traditional Name: 3-(3-chloro-N-(2-hydroxy-3-sulfo-propyl)anilino)-2-hydroxy-propane-1-sulfonic acid Formula: C12H18ClNO8S2 MolecularWeight: 403.85622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N(CC(CS(=O)(=O)O)O)CC(CS(=O)(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N(CC(CS(=O)(=O)O)O)CC(CS(=O)(=O)O)O

InChI

InChI=1S/C12H18ClNO8S2/c13-9-2-1-3-10(4-9)14(5-11(15)7-23(17,18)19)6-12(16)8-24(20,21)22/h1-4,11-12,15-16H,5-8H2,(H,17,18,19)(H,20,21,22)