5-[(E)-(3-carboxy-4-sulfanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-sulfanyl-benzoic acid

Systemtic Name: 5-[(E)-(3-carboxy-4-sulfanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-sulfanyl-benzoic acid Openeye Name: 5-[(E)-(3-carboxy-4-thioxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-sulfanyl-benzoic acid CAS Name: 5-[(E)-(3-carboxy-4-sulfanylidene-1-cyclohexa-2,5-dienylidene)methyl]-2-mercaptobenzoic acid IUPAC Name: 5-[(E)-(3-carboxy-4-sulfanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-2-sulfanylbenzoic acid Traditional Name: 5-[(E)-(3-carboxy-4-thioxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-mercapto-benzoic acid Formula: C15H10O4S2 MolecularWeight: 318.3675

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=C2C=CC(=S)C(=C2)C(=O)O)C(=O)O)S

Isomeric SMILES

C1=CC(=C(C=C1/C=C/2\C=CC(=S)C(=C2)C(=O)O)C(=O)O)S

InChI

InChI=1S/C15H10O4S2/c16-14(17)10-6-8(1-3-12(10)20)5-9-2-4-13(21)11(7-9)15(18)19/h1-7,20H,(H,16,17)(H,18,19)/b9-5+