2-sulfooxyethyl 4-[(2,5-dimethoxy-4-methyl-phenyl)diazenyl]-3-methyl-benzenesulfinate

Systemtic Name: 2-sulfooxyethyl 4-[(2,5-dimethoxy-4-methyl-phenyl)diazenyl]-3-methyl-benzenesulfinate Openeye Name: 2-sulfooxyethyl 4-(2,5-dimethoxy-4-methyl-phenyl)azo-3-methyl-benzenesulfinate CAS Name: 4-(2,5-dimethoxy-4-methylphenyl)azo-3-methylbenzenesulfinic acid 2-sulfooxyethyl ester IUPAC Name: 2-sulfooxyethyl 4-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-3-methylbenzenesulfinate Traditional Name: 4-(2,5-dimethoxy-4-methyl-phenyl)azo-3-methyl-benzenesulfinic acid 2-sulfoxyethyl ester Formula: C18H22N2O8S2 MolecularWeight: 458.50588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC)N=NC2=C(C=C(C=C2)S(=O)OCCOS(=O)(=O)O)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1OC)N=NC2=C(C=C(C=C2)S(=O)OCCOS(=O)(=O)O)C)OC

InChI

InChI=1S/C18H22N2O8S2/c1-12-9-14(29(21)27-7-8-28-30(22,23)24)5-6-15(12)19-20-16-11-17(25-3)13(2)10-18(16)26-4/h5-6,9-11H,7-8H2,1-4H3,(H,22,23,24)