[(3S,4R,5S,6S)-2,4,6-trimethyl-5-oxidanyl-7-phenylmethoxy-heptan-3-yl] benzoate

Systemtic Name: [(3S,4R,5S,6S)-2,4,6-trimethyl-5-oxidanyl-7-phenylmethoxy-heptan-3-yl] benzoate Openeye Name: [(1S,2R,3S,4S)-5-benzyloxy-3-hydroxy-1-isopropyl-2,4-dimethyl-pentyl] benzoate CAS Name: benzoic acid [(3S,4R,5S,6S)-5-hydroxy-2,4,6-trimethyl-7-phenylmethoxyheptan-3-yl] ester IUPAC Name: [(3S,4R,5S,6S)-5-hydroxy-2,4,6-trimethyl-7-phenylmethoxyheptan-3-yl] benzoate Traditional Name: benzoic acid [(1S,2R,3S,4S)-5-benzoxy-3-hydroxy-1-isopropyl-2,4-dimethyl-pentyl] ester Formula: C24H32O4 MolecularWeight: 384.50848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C(C(C)COCC1=CC=CC=C1)O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](COCC1=CC=CC=C1)[C@@H]([C@@H](C)[C@H](C(C)C)OC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C24H32O4/c1-17(2)23(28-24(26)21-13-9-6-10-14-21)19(4)22(25)18(3)15-27-16-20-11-7-5-8-12-20/h5-14,17-19,22-23,25H,15-16H2,1-4H3/t18-,19+,22-,23-/m0/s1