bis[(2S)-2-methylbutyl] [4-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclohexen-1-yl] phosphate

Systemtic Name: bis[(2S)-2-methylbutyl] [4-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclohexen-1-yl] phosphate Openeye Name: bis[(2S)-2-methylbutyl] [4-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclohexen-1-yl] phosphate CAS Name: phosphoric acid bis[(2S)-2-methylbutyl] [4-methyl-4-(2-methyl-1,3-dioxolan-2-yl)-1-cyclohexenyl] ester IUPAC Name: bis[(2S)-2-methylbutyl] [4-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclohexen-1-yl] phosphate Traditional Name: phosphoric acid bis[(2S)-2-methylbutyl] [4-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclohexen-1-yl] ester Formula: C21H39O6P MolecularWeight: 418.504521

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COP(=O)(OCC(C)CC)OC1=CCC(CC1)(C)C2(OCCO2)C

Isomeric SMILES

CC[C@H](C)COP(=O)(OC[C@@H](C)CC)OC1=CCC(CC1)(C)C2(OCCO2)C

InChI

InChI=1S/C21H39O6P/c1-7-17(3)15-25-28(22,26-16-18(4)8-2)27-19-9-11-20(5,12-10-19)21(6)23-13-14-24-21/h9,17-18H,7-8,10-16H2,1-6H3/t17-,18-,20?/m0/s1