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4-[(E)-4-methoxy-4-oxidanylidene-but-2-enyl]benzenecarbothioic S-acid

4-[(E)-4-methoxy-4-oxidanylidene-but-2-enyl]benzenecarbothioic S-acid

Systemtic Name:4-[(E)-4-methoxy-4-oxidanylidene-but-2-enyl]benzenecarbothioic S-acid
Openeye Name:4-[(E)-4-methoxy-4-oxo-but-2-enyl]benzenecarbothioic S-acid
CAS Name:4-[(E)-4-methoxy-4-oxobut-2-enyl]benzenecarbothioic S-acid
IUPAC Name:4-[(E)-4-methoxy-4-oxobut-2-enyl]benzenecarbothioic S-acid
Traditional Name:4-[(E)-4-keto-4-methoxy-but-2-enyl]thiobenzoic acid
Formula: C12H12O3S
MolecularWeight: 236.28688
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCC1=CC=C(C=C1)C(=O)S


Isomeric SMILES

COC(=O)/C=C/CC1=CC=C(C=C1)C(=O)S


InChI

InChI=1S/C12H12O3S/c1-15-11(13)4-2-3-9-5-7-10(8-6-9)12(14)16/h2,4-8H,3H2,1H3,(H,14,16)/b4-2+


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