2-[[4-[bis(2-hydroxyethyl)amino]phenyl]amino]-5-nitro-benzenesulfonic acid

Systemtic Name: 2-[[4-[bis(2-hydroxyethyl)amino]phenyl]amino]-5-nitro-benzenesulfonic acid Openeye Name: 2-[4-[bis(2-hydroxyethyl)amino]anilino]-5-nitro-benzenesulfonic acid CAS Name: 2-[4-[bis(2-hydroxyethyl)amino]anilino]-5-nitrobenzenesulfonic acid IUPAC Name: 2-[4-[bis(2-hydroxyethyl)amino]anilino]-5-nitrobenzenesulfonic acid Traditional Name: 2-[4-[bis(2-hydroxyethyl)amino]anilino]-5-nitro-besylic acid Formula: C16H19N3O7S MolecularWeight: 397.40296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)N(CCO)CCO

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)N(CCO)CCO

InChI

InChI=1S/C16H19N3O7S/c20-9-7-18(8-10-21)13-3-1-12(2-4-13)17-15-6-5-14(19(22)23)11-16(15)27(24,25)26/h1-6,11,17,20-21H,7-10H2,(H,24,25,26)