S-(phenylmethyl) 3-oxidanylhept-6-ynethioate

Systemtic Name: S-(phenylmethyl) 3-oxidanylhept-6-ynethioate Openeye Name: S-benzyl 3-hydroxyhept-6-ynethioate CAS Name: 3-hydroxy-6-heptynethioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl 3-hydroxyhept-6-ynethioate Traditional Name: 3-hydroxyhept-6-ynethioic acid S-benzyl ester Formula: C14H16O2S MolecularWeight: 248.34064

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCC(CC(=O)SCC1=CC=CC=C1)O

Isomeric SMILES

C#CCCC(CC(=O)SCC1=CC=CC=C1)O

InChI

InChI=1S/C14H16O2S/c1-2-3-9-13(15)10-14(16)17-11-12-7-5-4-6-8-12/h1,4-8,13,15H,3,9-11H2