3-[(3,5-dimethoxy-2-methyl-phenyl)amino]-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-[(3,5-dimethoxy-2-methyl-phenyl)amino]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 3-(3,5-dimethoxy-2-methyl-anilino)-2-hydroxy-propane-1-sulfonic acid CAS Name: 3-(3,5-dimethoxy-2-methylanilino)-2-hydroxy-1-propanesulfonic acid IUPAC Name: 3-(3,5-dimethoxy-2-methylanilino)-2-hydroxypropane-1-sulfonic acid Traditional Name: 3-(3,5-dimethoxy-2-methyl-anilino)-2-hydroxy-propane-1-sulfonic acid Formula: C12H19NO6S MolecularWeight: 305.34736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1NCC(CS(=O)(=O)O)O)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1NCC(CS(=O)(=O)O)O)OC)OC

InChI

InChI=1S/C12H19NO6S/c1-8-11(4-10(18-2)5-12(8)19-3)13-6-9(14)7-20(15,16)17/h4-5,9,13-14H,6-7H2,1-3H3,(H,15,16,17)