3-[(E)-2-[4-(3-methyl-2-sulfanylidene-but-3-enyl)phenyl]prop-1-enyl]-6-sulfanylidene-cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 3-[(E)-2-[4-(3-methyl-2-sulfanylidene-but-3-enyl)phenyl]prop-1-enyl]-6-sulfanylidene-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 3-[(E)-2-[4-(3-methyl-2-thioxo-but-3-enyl)phenyl]prop-1-enyl]-6-thioxo-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 3-[(E)-2-[4-(3-methyl-2-sulfanylidenebut-3-enyl)phenyl]prop-1-enyl]-6-sulfanylidene-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 3-[(E)-2-[4-(3-methyl-2-sulfanylidenebut-3-enyl)phenyl]prop-1-enyl]-6-sulfanylidenecyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 3-[(E)-2-[4-(3-methyl-2-thioxo-but-3-enyl)phenyl]prop-1-enyl]-6-thioxo-cyclohexa-1,3-diene-1-carboxylic acid Formula: C21H20O2S2 MolecularWeight: 368.5123

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=S)CC1=CC=C(C=C1)C(=CC2=CCC(=S)C(=C2)C(=O)O)C

Isomeric SMILES

CC(=C)C(=S)CC1=CC=C(C=C1)/C(=C/C2=CCC(=S)C(=C2)C(=O)O)/C

InChI

InChI=1S/C21H20O2S2/c1-13(2)20(25)12-15-4-7-17(8-5-15)14(3)10-16-6-9-19(24)18(11-16)21(22)23/h4-8,10-11H,1,9,12H2,2-3H3,(H,22,23)/b14-10+