2-[2-[(2-chloranyl-5-nitro-phenyl)sulfonylamino]ethyl]-5-(2-hydroxyethylsulfonyl)benzenesulfonic acid

Systemtic Name: 2-[2-[(2-chloranyl-5-nitro-phenyl)sulfonylamino]ethyl]-5-(2-hydroxyethylsulfonyl)benzenesulfonic acid Openeye Name: 2-[2-[(2-chloro-5-nitro-phenyl)sulfonylamino]ethyl]-5-(2-hydroxyethylsulfonyl)benzenesulfonic acid CAS Name: 2-[2-[(2-chloro-5-nitrophenyl)sulfonylamino]ethyl]-5-(2-hydroxyethylsulfonyl)benzenesulfonic acid IUPAC Name: 2-[2-[(2-chloro-5-nitrophenyl)sulfonylamino]ethyl]-5-(2-hydroxyethylsulfonyl)benzenesulfonic acid Traditional Name: 2-[2-[(2-chloro-5-nitro-phenyl)sulfonylamino]ethyl]-5-(2-hydroxyethylsulfonyl)besylic acid Formula: C16H17ClN2O10S3 MolecularWeight: 528.96158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCC2=C(C=C(C=C2)S(=O)(=O)CCO)S(=O)(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCC2=C(C=C(C=C2)S(=O)(=O)CCO)S(=O)(=O)O)Cl

InChI

InChI=1S/C16H17ClN2O10S3/c17-14-4-2-12(19(21)22)9-16(14)31(25,26)18-6-5-11-1-3-13(30(23,24)8-7-20)10-15(11)32(27,28)29/h1-4,9-10,18,20H,5-8H2,(H,27,28,29)