(3Z,5Z)-3,5-bis[(4-methoxy-3-oxidanyl-phenyl)methylidene]thian-4-one

Systemtic Name: (3Z,5Z)-3,5-bis[(4-methoxy-3-oxidanyl-phenyl)methylidene]thian-4-one Openeye Name: (3Z,5Z)-3,5-bis[(3-hydroxy-4-methoxy-phenyl)methylene]tetrahydrothiopyran-4-one CAS Name: (3Z,5Z)-3,5-bis[(3-hydroxy-4-methoxyphenyl)methylidene]-4-thianone IUPAC Name: (3Z,5Z)-3,5-bis[(3-hydroxy-4-methoxyphenyl)methylidene]thian-4-one Traditional Name: (3Z,5Z)-3,5-bis(3-hydroxy-4-methoxy-benzylidene)tetrahydrothiopyran-4-one Formula: C21H20O5S MolecularWeight: 384.4455

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2CSCC(=CC3=CC(=C(C=C3)OC)O)C2=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)OC)O)/CSC2)O

InChI

InChI=1S/C21H20O5S/c1-25-19-5-3-13(9-17(19)22)7-15-11-27-12-16(21(15)24)8-14-4-6-20(26-2)18(23)10-14/h3-10,22-23H,11-12H2,1-2H3/b15-7+,16-8+