3-benzamido-4-(2-chloroethylsulfonyl)-5-oxidanyl-naphthalene-1,7-disulfonic acid

Systemtic Name: 3-benzamido-4-(2-chloroethylsulfonyl)-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 3-benzamido-4-(2-chloroethylsulfonyl)-5-hydroxy-naphthalene-1,7-disulfonic acid CAS Name: 3-benzamido-4-(2-chloroethylsulfonyl)-5-hydroxynaphthalene-1,7-disulfonic acid IUPAC Name: 3-benzamido-4-(2-chloroethylsulfonyl)-5-hydroxynaphthalene-1,7-disulfonic acid Traditional Name: 3-benzamido-4-(2-chloroethylsulfonyl)-5-hydroxy-naphthalene-1,7-disulfonic acid Formula: C19H16ClNO10S3 MolecularWeight: 549.97904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=C(C3=C(C=C(C=C3C(=C2)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)CCCl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C(C3=C(C=C(C=C3C(=C2)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)CCCl

InChI

InChI=1S/C19H16ClNO10S3/c20-6-7-32(24,25)18-14(21-19(23)11-4-2-1-3-5-11)10-16(34(29,30)31)13-8-12(33(26,27)28)9-15(22)17(13)18/h1-5,8-10,22H,6-7H2,(H,21,23)(H,26,27,28)(H,29,30,31)