sodium [2-[4-[2,2-bis(oxidanyl)cyclohexyl]oxyphenyl]-2-methyl-propyl] sulfate

Systemtic Name: sodium [2-[4-[2,2-bis(oxidanyl)cyclohexyl]oxyphenyl]-2-methyl-propyl] sulfate Openeye Name: sodium [2-[4-(2,2-dihydroxycyclohexoxy)phenyl]-2-methyl-propyl] sulfate CAS Name: sodium [2-[4-(2,2-dihydroxycyclohexyl)oxyphenyl]-2-methylpropyl] sulfate IUPAC Name: sodium [2-[4-(2,2-dihydroxycyclohexyl)oxyphenyl]-2-methylpropyl] sulfate Traditional Name: sodium [2-[4-(2,2-dihydroxycyclohexoxy)phenyl]-2-methyl-propyl] sulfate Formula: C16H23NaO7S MolecularWeight: 382.40439

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COS(=O)(=O)[O-])C1=CC=C(C=C1)OC2CCCCC2(O)O.[Na+]

Isomeric SMILES

CC(C)(COS(=O)(=O)[O-])C1=CC=C(C=C1)OC2CCCCC2(O)O.[Na+]

InChI

InChI=1S/C16H24O7S.Na/c1-15(2,11-22-24(19,20)21)12-6-8-13(9-7-12)23-14-5-3-4-10-16(14,17)18;/h6-9,14,17-18H,3-5,10-11H2,1-2H3,(H,19,20,21);/q;+1/p-1