(Z,4S,7R,8R)-7-(methoxymethoxy)-4,6,8-trimethyl-13-phenylmethoxy-tridec-5-en-9-yn-2-one

Systemtic Name: (Z,4S,7R,8R)-7-(methoxymethoxy)-4,6,8-trimethyl-13-phenylmethoxy-tridec-5-en-9-yn-2-one Openeye Name: (Z,4S,7R,8R)-13-benzyloxy-7-(methoxymethoxy)-4,6,8-trimethyl-tridec-5-en-9-yn-2-one CAS Name: (Z,4S,7R,8R)-7-(methoxymethoxy)-4,6,8-trimethyl-13-phenylmethoxy-2-tridec-5-en-9-ynone IUPAC Name: (Z,4S,7R,8R)-7-(methoxymethoxy)-4,6,8-trimethyl-13-phenylmethoxytridec-5-en-9-yn-2-one Traditional Name: (Z,4S,7R,8R)-13-benzoxy-7-(methoxymethoxy)-4,6,8-trimethyl-tridec-5-en-9-yn-2-one Formula: C25H36O4 MolecularWeight: 400.55094

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C)C=C(C)C(C(C)C#CCCCOCC1=CC=CC=C1)OCOC

Isomeric SMILES

C[C@@H](CC(=O)C)/C=C(/C)\[C@@H]([C@H](C)C#CCCCOCC1=CC=CC=C1)OCOC

InChI

InChI=1S/C25H36O4/c1-20(17-23(4)26)16-22(3)25(29-19-27-5)21(2)12-8-7-11-15-28-18-24-13-9-6-10-14-24/h6,9-10,13-14,16,20-21,25H,7,11,15,17-19H2,1-5H3/b22-16-/t20-,21-,25-/m1/s1