sodium 5-[[4-[2,3-bis(oxidanyl)propylamino]phenyl]diazenyl]-8-phenyldiazenyl-naphthalene-2-sulfonate

Systemtic Name: sodium 5-[[4-[2,3-bis(oxidanyl)propylamino]phenyl]diazenyl]-8-phenyldiazenyl-naphthalene-2-sulfonate Openeye Name: sodium 5-[4-(2,3-dihydroxypropylamino)phenyl]azo-8-phenylazo-naphthalene-2-sulfonate CAS Name: sodium 5-[4-(2,3-dihydroxypropylamino)phenyl]azo-8-phenyldiazenyl-2-naphthalenesulfonate IUPAC Name: sodium 5-[[4-(2,3-dihydroxypropylamino)phenyl]diazenyl]-8-phenyldiazenylnaphthalene-2-sulfonate Traditional Name: sodium 5-[4-(glycerylamino)phenyl]azo-8-phenylazo-naphthalene-2-sulfonate Formula: C25H22N5NaO5S MolecularWeight: 527.52745

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=CC=C(C=C4)NCC(CO)O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=CC=C(C=C4)NCC(CO)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C25H23N5O5S.Na/c31-16-20(32)15-26-17-6-8-19(9-7-17)28-29-24-12-13-25(30-27-18-4-2-1-3-5-18)23-14-21(36(33,34)35)10-11-22(23)24;/h1-14,20,26,31-32H,15-16H2,(H,33,34,35);/q;+1/p-1