(3E)-5-azanyl-4-oxidanylidene-3-[[4-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoyl]phenyl]hydrazinylidene]-6-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid

Systemtic Name: (3E)-5-azanyl-4-oxidanylidene-3-[[4-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoyl]phenyl]hydrazinylidene]-6-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid Openeye Name: (3E)-5-amino-4-oxo-3-[[4-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoyl]phenyl]hydrazono]-6-[4-(2-sulfooxyethylsulfonyl)phenyl]azo-naphthalene-2,7-disulfonic acid CAS Name: (3E)-5-amino-4-oxo-3-[[4-[oxo-[2-(2-sulfooxyethylsulfonyl)ethylamino]methyl]phenyl]hydrazinylidene]-6-[4-(2-sulfooxyethylsulfonyl)phenyl]azonaphthalene-2,7-disulfonic acid IUPAC Name: (3E)-5-amino-4-oxo-3-[[4-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoyl]phenyl]hydrazinylidene]-6-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid Traditional Name: (3E)-5-amino-4-keto-3-[[4-[2-(2-sulfoxyethylsulfonyl)ethylcarbamoyl]phenyl]hydrazono]-6-[4-(2-sulfoxyethylsulfonyl)phenyl]azo-naphthalene-2,7-disulfonic acid Formula: C29H30N6O20S6 MolecularWeight: 974.9667

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCS(=O)(=O)CCOS(=O)(=O)O)NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCS(=O)(=O)CCOS(=O)(=O)O)N/N=C\2/C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C29H30N6O20S6/c30-25-24-18(15-22(58(42,43)44)26(25)34-32-20-5-7-21(8-6-20)57(40,41)14-11-55-61(51,52)53)16-23(59(45,46)47)27(28(24)36)35-33-19-3-1-17(2-4-19)29(37)31-9-12-56(38,39)13-10-54-60(48,49)50/h1-8,15-16,33H,9-14,30H2,(H,31,37)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)/b34-32?,35-27-