[(1R,3R,4S,6S)-3-(3-chloranylpropyl)-6-methyl-2-methylidene-4-oxidanyl-cyclohexyl] 2-diphenylphosphanylbenzoate

Systemtic Name: [(1R,3R,4S,6S)-3-(3-chloranylpropyl)-6-methyl-2-methylidene-4-oxidanyl-cyclohexyl] 2-diphenylphosphanylbenzoate Openeye Name: [(1R,3R,4S,6S)-3-(3-chloropropyl)-4-hydroxy-6-methyl-2-methylene-cyclohexyl] 2-diphenylphosphanylbenzoate CAS Name: 2-diphenylphosphinobenzoic acid [(1R,3R,4S,6S)-3-(3-chloropropyl)-4-hydroxy-6-methyl-2-methylenecyclohexyl] ester IUPAC Name: [(1R,3R,4S,6S)-3-(3-chloropropyl)-4-hydroxy-6-methyl-2-methylidenecyclohexyl] 2-diphenylphosphanylbenzoate Traditional Name: 2-diphenylphosphinobenzoic acid [(1R,3R,4S,6S)-3-(3-chloropropyl)-4-hydroxy-6-methyl-2-methylene-cyclohexyl] ester Formula: C30H32ClO3P MolecularWeight: 507.000041

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(=C)C1OC(=O)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)CCCCl)O

Isomeric SMILES

C[C@H]1C[C@@H]([C@@H](C(=C)[C@@H]1OC(=O)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)CCCCl)O

InChI

InChI=1S/C30H32ClO3P/c1-21-20-27(32)25(17-11-19-31)22(2)29(21)34-30(33)26-16-9-10-18-28(26)35(23-12-5-3-6-13-23)24-14-7-4-8-15-24/h3-10,12-16,18,21,25,27,29,32H,2,11,17,19-20H2,1H3/t21-,25+,27-,29+/m0/s1