2-prop-1-ynyl-5-sulfonyl-cyclohexa-1,3-diene

Systemtic Name: 2-prop-1-ynyl-5-sulfonyl-cyclohexa-1,3-diene Openeye Name: 2-prop-1-ynyl-5-sulfonyl-cyclohexa-1,3-diene CAS Name: 2-prop-1-ynyl-5-sulfonylcyclohexa-1,3-diene IUPAC Name: 2-prop-1-ynyl-5-sulfonylcyclohexa-1,3-diene Traditional Name: 2-prop-1-ynyl-5-sulfonyl-cyclohexa-1,3-diene Formula: C9H8O2S MolecularWeight: 180.22362

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CCC(=S(=O)=O)C=C1

Isomeric SMILES

CC#CC1=CCC(=S(=O)=O)C=C1

InChI

InChI=1S/C9H8O2S/c1-2-3-8-4-6-9(7-5-8)12(10)11/h4-6H,7H2,1H3