2-[[5-(2-hydroxyethyloxy)-2,4-dimethyl-phenyl]diazenyl]-5-(2-sulfooxyethoxysulfinyl)benzenesulfonic acid

Systemtic Name: 2-[[5-(2-hydroxyethyloxy)-2,4-dimethyl-phenyl]diazenyl]-5-(2-sulfooxyethoxysulfinyl)benzenesulfonic acid Openeye Name: 2-[5-(2-hydroxyethoxy)-2,4-dimethyl-phenyl]azo-5-(2-sulfooxyethoxysulfinyl)benzenesulfonic acid CAS Name: 2-[5-(2-hydroxyethoxy)-2,4-dimethylphenyl]azo-5-(2-sulfooxyethoxysulfinyl)benzenesulfonic acid IUPAC Name: 2-[[5-(2-hydroxyethoxy)-2,4-dimethylphenyl]diazenyl]-5-(2-sulfooxyethoxysulfinyl)benzenesulfonic acid Traditional Name: 2-[5-(2-hydroxyethoxy)-2,4-dimethyl-phenyl]azo-5-(2-sulfoxyethoxysulfinyl)besylic acid Formula: C18H22N2O11S3 MolecularWeight: 538.56908

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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)S(=O)(=O)O)OCCO)C

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O11S3/c1-12-9-13(2)17(29-6-5-21)11-16(12)20-19-15-4-3-14(10-18(15)33(23,24)25)32(22)30-7-8-31-34(26,27)28/h3-4,9-11,21H,5-8H2,1-2H3,(H,23,24,25)(H,26,27,28)