2-methyl-5-oxidanyl-6-phenylmethoxy-3-(sulfonatomethyl)cyclohexane-1-sulfonate

Systemtic Name: 2-methyl-5-oxidanyl-6-phenylmethoxy-3-(sulfonatomethyl)cyclohexane-1-sulfonate Openeye Name: 2-benzyloxy-3-hydroxy-6-methyl-5-(sulfonatomethyl)cyclohexanesulfonate CAS Name: 5-hydroxy-2-methyl-6-phenylmethoxy-3-(sulfonatomethyl)-1-cyclohexanesulfonate IUPAC Name: 5-hydroxy-2-methyl-6-phenylmethoxy-3-(sulfonatomethyl)cyclohexane-1-sulfonate Traditional Name: 2-benzoxy-3-hydroxy-6-methyl-5-(sulfonatomethyl)cyclohexanesulfonate Formula: C15H20O8S2-2 MolecularWeight: 392.4445

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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)/p-2