4-[(Z)-2-(3,4-dihydro-2H-1,5-benzodithiepin-7-yl)prop-1-enyl]benzoic acid

Systemtic Name: 4-[(Z)-2-(3,4-dihydro-2H-1,5-benzodithiepin-7-yl)prop-1-enyl]benzoic acid Openeye Name: 4-[(Z)-2-(3,4-dihydro-2H-1,5-benzodithiepin-7-yl)prop-1-enyl]benzoic acid CAS Name: 4-[(Z)-2-(3,4-dihydro-2H-1,5-benzodithiepin-7-yl)prop-1-enyl]benzoic acid IUPAC Name: 4-[(Z)-2-(3,4-dihydro-2H-1,5-benzodithiepin-7-yl)prop-1-enyl]benzoic acid Traditional Name: 4-[(Z)-2-(3,4-dihydro-2H-1,5-benzodithiepin-7-yl)prop-1-enyl]benzoic acid Formula: C19H18O2S2 MolecularWeight: 342.47502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)SCCCS3

Isomeric SMILES

C/C(=C/C1=CC=C(C=C1)C(=O)O)/C2=CC3=C(C=C2)SCCCS3

InChI

InChI=1S/C19H18O2S2/c1-13(11-14-3-5-15(6-4-14)19(20)21)16-7-8-17-18(12-16)23-10-2-9-22-17/h3-8,11-12H,2,9-10H2,1H3,(H,20,21)/b13-11-