5-azanyl-4-oxidanyl-3,6-bis[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-3,4-dihydronaphthalene-2,7-disulfonate

Systemtic Name: 5-azanyl-4-oxidanyl-3,6-bis[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-3,4-dihydronaphthalene-2,7-disulfonate Openeye Name: 5-amino-4-hydroxy-3,6-bis[[4-(2-sulfonatooxyethylsulfonyl)phenyl]azo]-3,4-dihydronaphthalene-2,7-disulfonate CAS Name: 5-amino-4-hydroxy-3,6-bis[[4-(2-sulfonatooxyethylsulfonyl)phenyl]azo]-3,4-dihydronaphthalene-2,7-disulfonate IUPAC Name: 5-amino-4-hydroxy-3,6-bis[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-3,4-dihydronaphthalene-2,7-disulfonate Traditional Name: 5-amino-4-hydroxy-3,6-bis[[4-(2-sulfatoethylsulfonyl)phenyl]azo]-3,4-dihydronaphthalene-2,7-disulfonate Formula: C26H23N5O19S6-4 MolecularWeight: 901.87292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2C(C3=C(C(=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)[O-])N)O)S(=O)(=O)CCOS(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N=NC2C(C3=C(C(=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)[O-])N)O)S(=O)(=O)CCOS(=O)(=O)[O-]

InChI

InChI=1S/C26H27N5O19S6/c27-23-22-15(13-20(53(37,38)39)24(23)30-28-16-1-5-18(6-2-16)51(33,34)11-9-49-55(43,44)45)14-21(54(40,41)42)25(26(22)32)31-29-17-3-7-19(8-4-17)52(35,36)12-10-50-56(46,47)48/h1-8,13-14,25-26,32H,9-12,27H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)/p-4