sodium 4-[2-[[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-phenyl-methylidene]hydrazinyl]benzenesulfonate

Systemtic Name: sodium 4-[2-[[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-phenyl-methylidene]hydrazinyl]benzenesulfonate Openeye Name: sodium 4-[2-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]azo-phenyl-methylene]hydrazino]benzenesulfonate CAS Name: sodium 4-[2-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]azo-phenylmethylidene]hydrazinyl]benzenesulfonate IUPAC Name: sodium 4-[2-[[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-phenylmethylidene]hydrazinyl]benzenesulfonate Traditional Name: sodium 4-[N'-[[2-methoxy-5-(2-sulfoxyethylsulfonyl)phenyl]azo-phenyl-methylene]hydrazino]besylate Formula: C22H21N4NaO10S3 MolecularWeight: 620.60771

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)CCOS(=O)(=O)O)N=NC(=NNC2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=CC=C3.[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)CCOS(=O)(=O)O)N=NC(=NNC2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C22H22N4O10S3.Na/c1-35-21-12-11-19(37(27,28)14-13-36-39(32,33)34)15-20(21)24-26-22(16-5-3-2-4-6-16)25-23-17-7-9-18(10-8-17)38(29,30)31;/h2-12,15,23H,13-14H2,1H3,(H,29,30,31)(H,32,33,34);/q;+1/p-1