5-[[3-(2-chloroethylsulfonyl)phenyl]carbonylamino]-6-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 5-[[3-(2-chloroethylsulfonyl)phenyl]carbonylamino]-6-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 5-[[3-(2-chloroethylsulfonyl)benzoyl]amino]-6-hydroxy-naphthalene-2-sulfonic acid CAS Name: 5-[[[3-(2-chloroethylsulfonyl)phenyl]-oxomethyl]amino]-6-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 5-[[3-(2-chloroethylsulfonyl)benzoyl]amino]-6-hydroxynaphthalene-2-sulfonic acid Traditional Name: 5-[[3-(2-chloroethylsulfonyl)benzoyl]amino]-6-hydroxy-naphthalene-2-sulfonic acid Formula: C19H16ClNO7S2 MolecularWeight: 469.91584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)CCCl)C(=O)NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)CCCl)C(=O)NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O

InChI

InChI=1S/C19H16ClNO7S2/c20-8-9-29(24,25)14-3-1-2-13(11-14)19(23)21-18-16-6-5-15(30(26,27)28)10-12(16)4-7-17(18)22/h1-7,10-11,22H,8-9H2,(H,21,23)(H,26,27,28)