2-methyl-5-oxidanyl-6-phenylmethoxy-3-(sulfomethyl)cyclohexane-1-sulfonic acid

Systemtic Name: 2-methyl-5-oxidanyl-6-phenylmethoxy-3-(sulfomethyl)cyclohexane-1-sulfonic acid Openeye Name: 2-benzyloxy-3-hydroxy-6-methyl-5-(sulfomethyl)cyclohexanesulfonic acid CAS Name: 5-hydroxy-2-methyl-6-phenylmethoxy-3-(sulfomethyl)-1-cyclohexanesulfonic acid IUPAC Name: 5-hydroxy-2-methyl-6-phenylmethoxy-3-(sulfomethyl)cyclohexane-1-sulfonic acid Traditional Name: 2-benzoxy-3-hydroxy-6-methyl-5-(sulfomethyl)cyclohexanesulfonic acid Formula: C15H22O8S2 MolecularWeight: 394.46038

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(C(C1S(=O)(=O)O)OCC2=CC=CC=C2)O)CS(=O)(=O)O

Isomeric SMILES

CC1C(CC(C(C1S(=O)(=O)O)OCC2=CC=CC=C2)O)CS(=O)(=O)O

InChI

InChI=1S/C15H22O8S2/c1-10-12(9-24(17,18)19)7-13(16)14(15(10)25(20,21)22)23-8-11-5-3-2-4-6-11/h2-6,10,12-16H,7-9H2,1H3,(H,17,18,19)(H,20,21,22)