4-[(E)-4-(4,4,6-trimethyl-2,3-dihydrothiopyran-5-yl)but-3-en-1-ynyl]benzoic acid

Systemtic Name: 4-[(E)-4-(4,4,6-trimethyl-2,3-dihydrothiopyran-5-yl)but-3-en-1-ynyl]benzoic acid Openeye Name: 4-[(E)-4-(4,4,6-trimethyl-2,3-dihydrothiopyran-5-yl)but-3-en-1-ynyl]benzoic acid CAS Name: 4-[(E)-4-(4,4,6-trimethyl-2,3-dihydrothiopyran-5-yl)but-3-en-1-ynyl]benzoic acid IUPAC Name: 4-[(E)-4-(4,4,6-trimethyl-2,3-dihydrothiopyran-5-yl)but-3-en-1-ynyl]benzoic acid Traditional Name: 4-[(E)-4-(4,4,6-trimethyl-2,3-dihydrothiopyran-5-yl)but-3-en-1-ynyl]benzoic acid Formula: C19H20O2S MolecularWeight: 312.4259

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCS1)(C)C)C=CC#CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(C(CCS1)(C)C)/C=C/C#CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C19H20O2S/c1-14-17(19(2,3)12-13-22-14)7-5-4-6-15-8-10-16(11-9-15)18(20)21/h5,7-11H,12-13H2,1-3H3,(H,20,21)/b7-5+