5-[[3-(2-chloroethylsulfonyl)phenyl]carbonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 5-[[3-(2-chloroethylsulfonyl)phenyl]carbonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 5-[[3-(2-chloroethylsulfonyl)benzoyl]amino]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 5-[[[3-(2-chloroethylsulfonyl)phenyl]-oxomethyl]amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 5-[[3-(2-chloroethylsulfonyl)benzoyl]amino]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 5-[[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=CC2=CC(=CC(=C2C(=C1)NC(=O)C3=CC(=CC=C3)S(=O)(=O)CCCl)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=CC(=CC(=C2C(=C1)NC(=O)C3=CC(=CC=C3)S(=O)(=O)CCCl)O)S(=O)(=O)O

InChI

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