(3R,4S,5S,6R)-6-ethenyl-4-methyl-8-oxidanylidene-3-phenylmethoxy-5-(phenylmethoxymethoxy)nonanenitrile

Systemtic Name: (3R,4S,5S,6R)-6-ethenyl-4-methyl-8-oxidanylidene-3-phenylmethoxy-5-(phenylmethoxymethoxy)nonanenitrile Openeye Name: (3R,4S,5S,6R)-3-benzyloxy-5-(benzyloxymethoxy)-4-methyl-8-oxo-6-vinyl-nonanenitrile CAS Name: (3R,4S,5S,6R)-6-ethenyl-4-methyl-8-oxo-3-phenylmethoxy-5-(phenylmethoxymethoxy)nonanenitrile IUPAC Name: (3R,4S,5S,6R)-6-ethenyl-4-methyl-8-oxo-3-phenylmethoxy-5-(phenylmethoxymethoxy)nonanenitrile Traditional Name: (3R,4S,5S,6R)-6-acetonyl-3-benzoxy-5-(benzoxymethoxy)-4-methyl-oct-7-enenitrile Formula: C27H33NO4 MolecularWeight: 435.55522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC#N)OCC1=CC=CC=C1)C(C(CC(=O)C)C=C)OCOCC2=CC=CC=C2

Isomeric SMILES

C[C@@H]([C@@H](CC#N)OCC1=CC=CC=C1)[C@H]([C@H](CC(=O)C)C=C)OCOCC2=CC=CC=C2

InChI

InChI=1S/C27H33NO4/c1-4-25(17-21(2)29)27(32-20-30-18-23-11-7-5-8-12-23)22(3)26(15-16-28)31-19-24-13-9-6-10-14-24/h4-14,22,25-27H,1,15,17-20H2,2-3H3/t22-,25-,26+,27+/m0/s1