2-[(E)-1-(3,4-dihydro-2H-thiochromen-2-yl)prop-1-enyl]benzoic acid

Systemtic Name: 2-[(E)-1-(3,4-dihydro-2H-thiochromen-2-yl)prop-1-enyl]benzoic acid Openeye Name: 2-[(E)-1-thiochroman-2-ylprop-1-enyl]benzoic acid CAS Name: 2-[(E)-1-(3,4-dihydro-2H-1-benzothiopyran-2-yl)prop-1-enyl]benzoic acid IUPAC Name: 2-[(E)-1-(3,4-dihydro-2H-thiochromen-2-yl)prop-1-enyl]benzoic acid Traditional Name: 2-[(E)-1-thiochroman-2-ylprop-1-enyl]benzoic acid Formula: C19H18O2S MolecularWeight: 310.41002

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C1CCC2=CC=CC=C2S1)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C/C=C(/C1CCC2=CC=CC=C2S1)\C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H18O2S/c1-2-14(15-8-4-5-9-16(15)19(20)21)18-12-11-13-7-3-6-10-17(13)22-18/h2-10,18H,11-12H2,1H3,(H,20,21)/b14-2+