sodium (4-tert-butylcyclohexyl) [4-[3-(2,4,6-trimethoxyphenyl)propyl]phenyl] phosphate

Systemtic Name: sodium (4-tert-butylcyclohexyl) [4-[3-(2,4,6-trimethoxyphenyl)propyl]phenyl] phosphate Openeye Name: sodium (4-tert-butylcyclohexyl) [4-[3-(2,4,6-trimethoxyphenyl)propyl]phenyl] phosphate CAS Name: sodium (4-tert-butylcyclohexyl) [4-[3-(2,4,6-trimethoxyphenyl)propyl]phenyl] phosphate IUPAC Name: sodium (4-tert-butylcyclohexyl) [4-[3-(2,4,6-trimethoxyphenyl)propyl]phenyl] phosphate Traditional Name: sodium (4-tert-butylcyclohexyl) [4-[3-(2,4,6-trimethoxyphenyl)propyl]phenyl] phosphate Formula: C28H40NaO7P MolecularWeight: 542.576531

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)OP(=O)([O-])OC2=CC=C(C=C2)CCCC3=C(C=C(C=C3OC)OC)OC.[Na+]

Isomeric SMILES

CC(C)(C)C1CCC(CC1)OP(=O)([O-])OC2=CC=C(C=C2)CCCC3=C(C=C(C=C3OC)OC)OC.[Na+]

InChI

InChI=1S/C28H41O7P.Na/c1-28(2,3)21-12-16-23(17-13-21)35-36(29,30)34-22-14-10-20(11-15-22)8-7-9-25-26(32-5)18-24(31-4)19-27(25)33-6;/h10-11,14-15,18-19,21,23H,7-9,12-13,16-17H2,1-6H3,(H,29,30);/q;+1/p-1