(3R,4S,7E,11E)-3,7,11-trimethyl-3,4-bis(oxidanyl)-13-phenylmethoxy-trideca-7,11-dienenitrile

Systemtic Name: (3R,4S,7E,11E)-3,7,11-trimethyl-3,4-bis(oxidanyl)-13-phenylmethoxy-trideca-7,11-dienenitrile Openeye Name: (3R,4S,7E,11E)-13-benzyloxy-3,4-dihydroxy-3,7,11-trimethyl-trideca-7,11-dienenitrile CAS Name: (3R,4S,7E,11E)-3,4-dihydroxy-3,7,11-trimethyl-13-phenylmethoxytrideca-7,11-dienenitrile IUPAC Name: (3R,4S,7E,11E)-3,4-dihydroxy-3,7,11-trimethyl-13-phenylmethoxytrideca-7,11-dienenitrile Traditional Name: (3R,4S,7E,11E)-13-benzoxy-3,4-dihydroxy-3,7,11-trimethyl-trideca-7,11-dienenitrile Formula: C23H33NO3 MolecularWeight: 371.51302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCOCC1=CC=CC=C1)C)CCC(C(C)(CC#N)O)O

Isomeric SMILES

C/C(=C\CC/C(=C/COCC1=CC=CC=C1)/C)/CC[C@@H]([C@@](C)(CC#N)O)O

InChI

InChI=1S/C23H33NO3/c1-19(12-13-22(25)23(3,26)15-16-24)8-7-9-20(2)14-17-27-18-21-10-5-4-6-11-21/h4-6,8,10-11,14,22,25-26H,7,9,12-13,15,17-18H2,1-3H3/b19-8+,20-14+/t22-,23+/m0/s1