S-phenyl (2S,3S)-2-methyl-3-oxidanyl-undec-4-ynethioate

Systemtic Name: S-phenyl (2S,3S)-2-methyl-3-oxidanyl-undec-4-ynethioate Openeye Name: S-phenyl (2S,3S)-3-hydroxy-2-methyl-undec-4-ynethioate CAS Name: (2S,3S)-3-hydroxy-2-methyl-4-undecynethioic acid S-phenyl ester IUPAC Name: S-phenyl (2S,3S)-3-hydroxy-2-methylundec-4-ynethioate Traditional Name: (2S,3S)-3-hydroxy-2-methyl-undec-4-ynethioic acid S-phenyl ester Formula: C18H24O2S MolecularWeight: 304.44696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC(C(C)C(=O)SC1=CC=CC=C1)O

Isomeric SMILES

CCCCCCC#C[C@H]([C@H](C)C(=O)SC1=CC=CC=C1)O

InChI

InChI=1S/C18H24O2S/c1-3-4-5-6-7-11-14-17(19)15(2)18(20)21-16-12-9-8-10-13-16/h8-10,12-13,15,17,19H,3-7H2,1-2H3/t15-,17+/m0/s1