disodium 2,6-bis[2,4,6-tri(propan-2-yl)cyclohexyl]cyclohexan-1-olate

Systemtic Name: disodium 2,6-bis[2,4,6-tri(propan-2-yl)cyclohexyl]cyclohexan-1-olate Openeye Name: disodium 2,6-bis(2,4,6-triisopropylcyclohexyl)cyclohexanolate CAS Name: disodium 2,6-bis[2,4,6-tri(propan-2-yl)cyclohexyl]-1-cyclohexanolate IUPAC Name: disodium 2,6-bis[2,4,6-tri(propan-2-yl)cyclohexyl]cyclohexan-1-olate Traditional Name: disodium 2,6-bis(2,4,6-triisopropylcyclohexyl)cyclohexanolate Formula: C72H130Na2O2-4 MolecularWeight: 1073.78094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC([C-](C(C1)C(C)C)C2CCCC(C2[O-])[C-]3C(CC(CC3C(C)C)C(C)C)C(C)C)C(C)C.CC(C)C1CC([C-](C(C1)C(C)C)C2CCCC(C2[O-])[C-]3C(CC(CC3C(C)C)C(C)C)C(C)C)C(C)C.[Na+].[Na+]

Isomeric SMILES

CC(C)C1CC([C-](C(C1)C(C)C)C2CCCC(C2[O-])[C-]3C(CC(CC3C(C)C)C(C)C)C(C)C)C(C)C.CC(C)C1CC([C-](C(C1)C(C)C)C2CCCC(C2[O-])[C-]3C(CC(CC3C(C)C)C(C)C)C(C)C)C(C)C.[Na+].[Na+]

InChI

InChI=1S/2C36H65O.2Na/c2*1-20(2)26-16-30(22(5)6)34(31(17-26)23(7)8)28-14-13-15-29(36(28)37)35-32(24(9)10)18-27(21(3)4)19-33(35)25(11)12;;/h2*20-33,36H,13-19H2,1-12H3;;/q2*-3;2*+1