3-(4,4-dimethylpent-2-ynylsulfanyl)prop-1-ynylbenzene

Systemtic Name: 3-(4,4-dimethylpent-2-ynylsulfanyl)prop-1-ynylbenzene Openeye Name: 3-(4,4-dimethylpent-2-ynylsulfanyl)prop-1-ynylbenzene CAS Name: 3-(4,4-dimethylpent-2-ynylthio)prop-1-ynylbenzene IUPAC Name: 3-(4,4-dimethylpent-2-ynylsulfanyl)prop-1-ynylbenzene Traditional Name: 3-(4,4-dimethylpent-2-ynylthio)prop-1-ynylbenzene Formula: C16H18S MolecularWeight: 242.37912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CCSCC#CC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)C#CCSCC#CC1=CC=CC=C1

InChI

InChI=1S/C16H18S/c1-16(2,3)12-8-14-17-13-7-11-15-9-5-4-6-10-15/h4-6,9-10H,13-14H2,1-3H3