sodium 2-[4-[[4-(2-hydroxyethylamino)phenyl]diazenyl]-3-sulfo-phenyl]sulfonylethyl sulfate

Systemtic Name: sodium 2-[4-[[4-(2-hydroxyethylamino)phenyl]diazenyl]-3-sulfo-phenyl]sulfonylethyl sulfate Openeye Name: sodium 2-[4-[4-(2-hydroxyethylamino)phenyl]azo-3-sulfo-phenyl]sulfonylethyl sulfate CAS Name: sodium 2-[4-[4-(2-hydroxyethylamino)phenyl]azo-3-sulfophenyl]sulfonylethyl sulfate IUPAC Name: sodium 2-[4-[[4-(2-hydroxyethylamino)phenyl]diazenyl]-3-sulfophenyl]sulfonylethyl sulfate Traditional Name: sodium 2-[4-[4-(2-hydroxyethylamino)phenyl]azo-3-sulfo-phenyl]sulfonylethyl sulfate Formula: C16H18N3NaO10S3 MolecularWeight: 531.51299

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCO)N=NC2=C(C=C(C=C2)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)O.[Na+]

Isomeric SMILES

C1=CC(=CC=C1NCCO)N=NC2=C(C=C(C=C2)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)O.[Na+]

InChI

InChI=1S/C16H19N3O10S3.Na/c20-8-7-17-12-1-3-13(4-2-12)18-19-15-6-5-14(11-16(15)31(23,24)25)30(21,22)10-9-29-32(26,27)28;/h1-6,11,17,20H,7-10H2,(H,23,24,25)(H,26,27,28);/q;+1/p-1