4-methoxy-7-thiophen-2-ylsulfonyl-heptan-2-one

Systemtic Name: 4-methoxy-7-thiophen-2-ylsulfonyl-heptan-2-one Openeye Name: 4-methoxy-7-(2-thienylsulfonyl)heptan-2-one CAS Name: 4-methoxy-7-thiophen-2-ylsulfonyl-2-heptanone IUPAC Name: 4-methoxy-7-thiophen-2-ylsulfonylheptan-2-one Traditional Name: 4-methoxy-7-(2-thienylsulfonyl)heptan-2-one Formula: C12H18O4S2 MolecularWeight: 290.39892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CCCS(=O)(=O)C1=CC=CS1)OC

Isomeric SMILES

CC(=O)CC(CCCS(=O)(=O)C1=CC=CS1)OC

InChI

InChI=1S/C12H18O4S2/c1-10(13)9-11(16-2)5-4-8-18(14,15)12-6-3-7-17-12/h3,6-7,11H,4-5,8-9H2,1-2H3