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methyl 3-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]prop-2-ynoate

methyl 3-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]prop-2-ynoate

Systemtic Name:methyl 3-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]prop-2-ynoate
Openeye Name:methyl 3-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]prop-2-ynoate
CAS Name:3-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]-2-propynoic acid methyl ester
IUPAC Name:methyl 3-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]prop-2-ynoate
Traditional Name:3-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]propiolic acid methyl ester
Formula: C18H22O2S2
MolecularWeight: 334.49608
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CSC(SC1)C2=CC=C(C=C2)C#CC(=O)OC


Isomeric SMILES

CC(C)(C)C1CSC(SC1)C2=CC=C(C=C2)C#CC(=O)OC


InChI

InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-8-5-13(6-9-14)7-10-16(19)20-4/h5-6,8-9,15,17H,11-12H2,1-4H3


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