2-[2-methoxy-4-(2-methyl-1-sulfo-propan-2-yl)-5-oxidanyl-phenyl]-2-methyl-propane-1-sulfonic acid

Systemtic Name: 2-[2-methoxy-4-(2-methyl-1-sulfo-propan-2-yl)-5-oxidanyl-phenyl]-2-methyl-propane-1-sulfonic acid Openeye Name: 2-[4-(1,1-dimethyl-2-sulfo-ethyl)-5-hydroxy-2-methoxy-phenyl]-2-methyl-propane-1-sulfonic acid CAS Name: 2-[5-hydroxy-2-methoxy-4-(2-methyl-1-sulfopropan-2-yl)phenyl]-2-methyl-1-propanesulfonic acid IUPAC Name: 2-[5-hydroxy-2-methoxy-4-(2-methyl-1-sulfopropan-2-yl)phenyl]-2-methylpropane-1-sulfonic acid Traditional Name: 2-[4-(1,1-dimethyl-2-sulfo-ethyl)-5-hydroxy-2-methoxy-phenyl]-2-methyl-propane-1-sulfonic acid Formula: C15H24O8S2 MolecularWeight: 396.47626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS(=O)(=O)O)C1=CC(=C(C=C1OC)C(C)(C)CS(=O)(=O)O)O

Isomeric SMILES

CC(C)(CS(=O)(=O)O)C1=CC(=C(C=C1OC)C(C)(C)CS(=O)(=O)O)O

InChI

InChI=1S/C15H24O8S2/c1-14(2,8-24(17,18)19)10-7-13(23-5)11(6-12(10)16)15(3,4)9-25(20,21)22/h6-7,16H,8-9H2,1-5H3,(H,17,18,19)(H,20,21,22)