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

Systemtic Name: 4-[(E)-2-(3-methyl-3,4-dihydro-2H-1,5-benzodithiepin-7-yl)prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-(3-methyl-3,4-dihydro-2H-1,5-benzodithiepin-7-yl)prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-(3-methyl-3,4-dihydro-2H-1,5-benzodithiepin-7-yl)prop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-(3-methyl-3,4-dihydro-2H-1,5-benzodithiepin-7-yl)prop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-(3-methyl-3,4-dihydro-2H-1,5-benzodithiepin-7-yl)prop-1-enyl]benzoic acid Formula: C20H20O2S2 MolecularWeight: 356.5016

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Descriptors Computed from Structure

Canonical SMILES:

CC1CSC2=C(C=C(C=C2)C(=CC3=CC=C(C=C3)C(=O)O)C)SC1

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)/C(=C/C3=CC=C(C=C3)C(=O)O)/C)SC1

InChI

InChI=1S/C20H20O2S2/c1-13-11-23-18-8-7-17(10-19(18)24-12-13)14(2)9-15-3-5-16(6-4-15)20(21)22/h3-10,13H,11-12H2,1-2H3,(H,21,22)/b14-9+