2-methyl-4-(2-sulfooxyethylsulfonyl)benzenesulfonic acid

Systemtic Name: 2-methyl-4-(2-sulfooxyethylsulfonyl)benzenesulfonic acid Openeye Name: 2-methyl-4-(2-sulfooxyethylsulfonyl)benzenesulfonic acid CAS Name: 2-methyl-4-(2-sulfooxyethylsulfonyl)benzenesulfonic acid IUPAC Name: 2-methyl-4-(2-sulfooxyethylsulfonyl)benzenesulfonic acid Traditional Name: 2-methyl-4-(2-sulfoxyethylsulfonyl)besylic acid Formula: C9H12O9S3 MolecularWeight: 360.38118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C9H12O9S3/c1-7-6-8(2-3-9(7)20(12,13)14)19(10,11)5-4-18-21(15,16)17/h2-3,6H,4-5H2,1H3,(H,12,13,14)(H,15,16,17)