6-[[3-(2-chloroethylsulfonyl)phenyl]carbonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 6-[[3-(2-chloroethylsulfonyl)phenyl]carbonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 6-[[3-(2-chloroethylsulfonyl)benzoyl]amino]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 6-[[[3-(2-chloroethylsulfonyl)phenyl]-oxomethyl]amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 6-[[3-(2-chloroethylsulfonyl)benzoyl]amino]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 6-[[3-(2-chloroethylsulfonyl)benzoyl]amino]-4-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=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)CCCl)C(=O)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)O

InChI

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