5-acetamido-3-[[4-(2-hydroxyethylsulfonyl)phenyl]diazenyl]-4-sulfooxy-naphthalene-2,7-disulfonic acid

Systemtic Name: 5-acetamido-3-[[4-(2-hydroxyethylsulfonyl)phenyl]diazenyl]-4-sulfooxy-naphthalene-2,7-disulfonic acid Openeye Name: 5-acetamido-3-[4-(2-hydroxyethylsulfonyl)phenyl]azo-4-sulfooxy-naphthalene-2,7-disulfonic acid CAS Name: 5-acetamido-3-[4-(2-hydroxyethylsulfonyl)phenyl]azo-4-sulfooxynaphthalene-2,7-disulfonic acid IUPAC Name: 5-acetamido-3-[[4-(2-hydroxyethylsulfonyl)phenyl]diazenyl]-4-sulfooxynaphthalene-2,7-disulfonic acid Traditional Name: 5-acetamido-3-[4-(2-hydroxyethylsulfonyl)phenyl]azo-4-sulfoxy-naphthalene-2,7-disulfonic acid Formula: C20H19N3O14S4 MolecularWeight: 653.63656

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C(=C2OS(=O)(=O)O)N=NC3=CC=C(C=C3)S(=O)(=O)CCO)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C(=C2OS(=O)(=O)O)N=NC3=CC=C(C=C3)S(=O)(=O)CCO)S(=O)(=O)O

InChI

InChI=1S/C20H19N3O14S4/c1-11(25)21-16-10-15(39(28,29)30)8-12-9-17(40(31,32)33)19(20(18(12)16)37-41(34,35)36)23-22-13-2-4-14(5-3-13)38(26,27)7-6-24/h2-5,8-10,24H,6-7H2,1H3,(H,21,25)(H,28,29,30)(H,31,32,33)(H,34,35,36)