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O1-ethyl O3-(5-phenylsulfanylpent-3-ynyl) propanedioate

O1-ethyl O3-(5-phenylsulfanylpent-3-ynyl) propanedioate

Systemtic Name:O1-ethyl O3-(5-phenylsulfanylpent-3-ynyl) propanedioate
Openeye Name:O1-ethyl O3-(5-phenylsulfanylpent-3-ynyl) propanedioate
CAS Name:propanedioic acid O1-ethyl ester O3-[5-(phenylthio)pent-3-ynyl] ester
IUPAC Name:1-O-ethyl 3-O-(5-phenylsulfanylpent-3-ynyl) propanedioate
Traditional Name:malonic acid O1-ethyl ester O3-[5-(phenylthio)pent-3-ynyl] ester
Formula: C16H18O4S
MolecularWeight: 306.37672
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)OCCC#CCSC1=CC=CC=C1


Isomeric SMILES

CCOC(=O)CC(=O)OCCC#CCSC1=CC=CC=C1


InChI

InChI=1S/C16H18O4S/c1-2-19-15(17)13-16(18)20-11-7-4-8-12-21-14-9-5-3-6-10-14/h3,5-6,9-10H,2,7,11-13H2,1H3


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