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

Systemtic Name: 2-sulfooxyethyl 4-[(5-methoxy-2,4-dimethyl-phenyl)diazenyl]-3-methyl-benzenesulfinate Openeye Name: 2-sulfooxyethyl 4-(5-methoxy-2,4-dimethyl-phenyl)azo-3-methyl-benzenesulfinate CAS Name: 4-(5-methoxy-2,4-dimethylphenyl)azo-3-methylbenzenesulfinic acid 2-sulfooxyethyl ester IUPAC Name: 2-sulfooxyethyl 4-[(5-methoxy-2,4-dimethylphenyl)diazenyl]-3-methylbenzenesulfinate Traditional Name: 4-(5-methoxy-2,4-dimethyl-phenyl)azo-3-methyl-benzenesulfinic acid 2-sulfoxyethyl ester Formula: C18H22N2O7S2 MolecularWeight: 442.50648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=C(C=C(C=C2)S(=O)OCCOS(=O)(=O)O)C)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=C(C=C(C=C2)S(=O)OCCOS(=O)(=O)O)C)OC)C

InChI

InChI=1S/C18H22N2O7S2/c1-12-9-14(3)18(25-4)11-17(12)20-19-16-6-5-15(10-13(16)2)28(21)26-7-8-27-29(22,23)24/h5-6,9-11H,7-8H2,1-4H3,(H,22,23,24)