4-[(E)-2-(2-methyl-1,3-benzodithiol-5-yl)prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-(2-methyl-1,3-benzodithiol-5-yl)prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-(2-methyl-1,3-benzodithiol-5-yl)prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-(2-methyl-1,3-benzodithiol-5-yl)prop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-(2-methyl-1,3-benzodithiol-5-yl)prop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-(2-methyl-1,3-benzodithiol-5-yl)prop-1-enyl]benzoic acid Formula: C18H16O2S2 MolecularWeight: 328.44844

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Descriptors Computed from Structure

Canonical SMILES:

CC1SC2=C(S1)C=C(C=C2)C(=CC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1SC2=C(S1)C=C(C=C2)/C(=C/C3=CC=C(C=C3)C(=O)O)/C

InChI

InChI=1S/C18H16O2S2/c1-11(9-13-3-5-14(6-4-13)18(19)20)15-7-8-16-17(10-15)22-12(2)21-16/h3-10,12H,1-2H3,(H,19,20)/b11-9+