7-[[4-azanyl-2-(2-sulfoethylsulfonyl)phenyl]amino]-3-(2-hydroxyethylsulfonyl)naphthalene-1-sulfonic acid

Systemtic Name: 7-[[4-azanyl-2-(2-sulfoethylsulfonyl)phenyl]amino]-3-(2-hydroxyethylsulfonyl)naphthalene-1-sulfonic acid Openeye Name: 7-[4-amino-2-(2-sulfoethylsulfonyl)anilino]-3-(2-hydroxyethylsulfonyl)naphthalene-1-sulfonic acid CAS Name: 7-[4-amino-2-(2-sulfoethylsulfonyl)anilino]-3-(2-hydroxyethylsulfonyl)-1-naphthalenesulfonic acid IUPAC Name: 7-[4-amino-2-(2-sulfoethylsulfonyl)anilino]-3-(2-hydroxyethylsulfonyl)naphthalene-1-sulfonic acid Traditional Name: 7-[4-amino-2-(2-sulfoethylsulfonyl)anilino]-3-(2-hydroxyethylsulfonyl)naphthalene-1-sulfonic acid Formula: C20H22N2O11S4 MolecularWeight: 594.65548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)CCO)S(=O)(=O)O)NC3=C(C=C(C=C3)N)S(=O)(=O)CCS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)CCO)S(=O)(=O)O)NC3=C(C=C(C=C3)N)S(=O)(=O)CCS(=O)(=O)O

InChI

InChI=1S/C20H22N2O11S4/c21-14-2-4-18(20(10-14)35(26,27)7-8-36(28,29)30)22-15-3-1-13-9-16(34(24,25)6-5-23)12-19(17(13)11-15)37(31,32)33/h1-4,9-12,22-23H,5-8,21H2,(H,28,29,30)(H,31,32,33)