(3Z)-5-azanyl-3-[[4-[[4-[2-(methylidene-oxidanyl-oxidanylidene-$l^{6}-sulfanyl)oxyethylsulfonyl]phenyl]carbamoyl]phenyl]hydrazinylidene]-4-oxidanylidene-6-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid

Systemtic Name: (3Z)-5-azanyl-3-[[4-[[4-[2-(methylidene-oxidanyl-oxidanylidene-$l^{6}-sulfanyl)oxyethylsulfonyl]phenyl]carbamoyl]phenyl]hydrazinylidene]-4-oxidanylidene-6-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid Openeye Name: (3Z)-5-amino-3-[[4-[[4-[2-(hydroxy-methylene-oxo-$l^{6}-sulfanyl)oxyethylsulfonyl]phenyl]carbamoyl]phenyl]hydrazono]-4-oxo-6-[4-(2-sulfooxyethylsulfonyl)phenyl]azo-naphthalene-2,7-disulfonic acid CAS Name: (3Z)-5-amino-3-[[4-[[4-[2-(hydroxy-methylene-oxo-$l^{6}-sulfanyl)oxyethylsulfonyl]anilino]-oxomethyl]phenyl]hydrazinylidene]-4-oxo-6-[4-(2-sulfooxyethylsulfonyl)phenyl]azonaphthalene-2,7-disulfonic acid IUPAC Name: (3Z)-5-amino-3-[[4-[[4-[2-(hydroxy-methylidene-oxo-$l^{6}-sulfanyl)oxyethylsulfonyl]phenyl]carbamoyl]phenyl]hydrazinylidene]-4-oxo-6-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid Traditional Name: (3Z)-5-amino-3-[[4-[[4-[2-(hydroxy-keto-methylene-persulfuranyl)oxyethylsulfonyl]phenyl]carbamoyl]phenyl]hydrazono]-4-keto-6-[4-(2-sulfoxyethylsulfonyl)phenyl]azo-naphthalene-2,7-disulfonic acid Formula: C34H32N6O19S6 MolecularWeight: 1021.03668

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Descriptors Computed from Structure

Canonical SMILES:

C=S(=O)(O)OCCS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NN=C3C(=CC4=CC(=C(C(=C4C3=O)N)N=NC5=CC=C(C=C5)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C=S(=O)(O)OCCS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N/N=C/3\C(=CC4=CC(=C(C(=C4C3=O)N)N=NC5=CC=C(C=C5)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C34H32N6O19S6/c1-60(43,44)58-14-16-61(45,46)25-10-6-22(7-11-25)36-34(42)20-2-4-23(5-3-20)38-40-32-28(64(52,53)54)19-21-18-27(63(49,50)51)31(30(35)29(21)33(32)41)39-37-24-8-12-26(13-9-24)62(47,48)17-15-59-65(55,56)57/h2-13,18-19,38H,1,14-17,35H2,(H,36,42)(H,43,44)(H,49,50,51)(H,52,53,54)(H,55,56,57)/b39-37?,40-32+