2-[(E)-4-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)but-1-enyl]cyclopropene-1-carboxylic acid

Systemtic Name: 2-[(E)-4-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)but-1-enyl]cyclopropene-1-carboxylic acid Openeye Name: 2-[(E)-4-(4,4-dimethylthiochroman-6-yl)but-1-enyl]cyclopropene-1-carboxylic acid CAS Name: 2-[(E)-4-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)but-1-enyl]-1-cyclopropenecarboxylic acid IUPAC Name: 2-[(E)-4-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)but-1-enyl]cyclopropene-1-carboxylic acid Traditional Name: 2-[(E)-4-(4,4-dimethylthiochroman-6-yl)but-1-enyl]cyclopropene-1-carboxylic acid Formula: C19H22O2S MolecularWeight: 314.44178

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)CCC=CC3=C(C3)C(=O)O)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)CC/C=C/C3=C(C3)C(=O)O)C

InChI

InChI=1S/C19H22O2S/c1-19(2)9-10-22-17-8-7-13(11-16(17)19)5-3-4-6-14-12-15(14)18(20)21/h4,6-8,11H,3,5,9-10,12H2,1-2H3,(H,20,21)/b6-4+