5-azanyl-6-[3-(2-chloroethylsulfonyl)phenyl]carbonyl-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 5-azanyl-6-[3-(2-chloroethylsulfonyl)phenyl]carbonyl-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 5-amino-6-[3-(2-chloroethylsulfonyl)benzoyl]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 5-amino-6-[[3-(2-chloroethylsulfonyl)phenyl]-oxomethyl]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 5-amino-6-[3-(2-chloroethylsulfonyl)benzoyl]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 5-amino-6-[3-(2-chloroethylsulfonyl)benzoyl]-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)C2=C(C3=C(C=C(C=C3C=C2)S(=O)(=O)O)O)N

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)CCCl)C(=O)C2=C(C3=C(C=C(C=C3C=C2)S(=O)(=O)O)O)N

InChI

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