4-[2-[[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-phenyl-methylidene]hydrazinyl]benzenesulfonic acid

Systemtic Name: 4-[2-[[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-phenyl-methylidene]hydrazinyl]benzenesulfonic acid Openeye Name: 4-[2-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]azo-phenyl-methylene]hydrazino]benzenesulfonic acid CAS Name: 4-[2-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]azo-phenylmethylidene]hydrazinyl]benzenesulfonic acid IUPAC Name: 4-[2-[[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-phenylmethylidene]hydrazinyl]benzenesulfonic acid Traditional Name: 4-[N'-[[2-methoxy-5-(2-sulfoxyethylsulfonyl)phenyl]azo-phenyl-methylene]hydrazino]besylic acid Formula: C22H22N4O10S3 MolecularWeight: 598.62588

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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

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

InChI

InChI=1S/C22H22N4O10S3/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)