[5-(2-methyloctan-2-yl)-2-[(1S,3R)-3-oxidanylcyclohexyl]phenyl] dihydrogen phosphate

Systemtic Name: [5-(2-methyloctan-2-yl)-2-[(1S,3R)-3-oxidanylcyclohexyl]phenyl] dihydrogen phosphate Openeye Name: [5-(1,1-dimethylheptyl)-2-[(1S,3R)-3-hydroxycyclohexyl]phenyl] dihydrogen phosphate CAS Name: [2-[(1S,3R)-3-hydroxycyclohexyl]-5-(2-methyloctan-2-yl)phenyl] dihydrogen phosphate IUPAC Name: [2-[(1S,3R)-3-hydroxycyclohexyl]-5-(2-methyloctan-2-yl)phenyl] dihydrogen phosphate Traditional Name: [5-(1,1-dimethylheptyl)-2-[(1S,3R)-3-hydroxycyclohexyl]phenyl] dihydrogen phosphate Formula: C21H35O5P MolecularWeight: 398.473361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCC(C2)O)OP(=O)(O)O

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)[C@H]2CCC[C@H](C2)O)OP(=O)(O)O

InChI

InChI=1S/C21H35O5P/c1-4-5-6-7-13-21(2,3)17-11-12-19(16-9-8-10-18(22)14-16)20(15-17)26-27(23,24)25/h11-12,15-16,18,22H,4-10,13-14H2,1-3H3,(H2,23,24,25)/t16-,18+/m0/s1