(2S,4R)-2,4-dimethyl-1-phenylmethoxy-tridec-5-yn-3-one

Systemtic Name: (2S,4R)-2,4-dimethyl-1-phenylmethoxy-tridec-5-yn-3-one Openeye Name: (2S,4R)-1-benzyloxy-2,4-dimethyl-tridec-5-yn-3-one CAS Name: (2S,4R)-2,4-dimethyl-1-phenylmethoxy-5-tridecyn-3-one IUPAC Name: (2S,4R)-2,4-dimethyl-1-phenylmethoxytridec-5-yn-3-one Traditional Name: (2S,4R)-1-benzoxy-2,4-dimethyl-tridec-5-yn-3-one Formula: C22H32O2 MolecularWeight: 328.48828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC#CC(C)C(=O)C(C)COCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCC#C[C@@H](C)C(=O)[C@@H](C)COCC1=CC=CC=C1

InChI

InChI=1S/C22H32O2/c1-4-5-6-7-8-9-11-14-19(2)22(23)20(3)17-24-18-21-15-12-10-13-16-21/h10,12-13,15-16,19-20H,4-9,17-18H2,1-3H3/t19-,20+/m1/s1