6-[(E)-2-[4-(3,5-dimethylphenyl)-2,2-dimethyl-thiochromen-3-yl]ethenyl]-4-oxidanyl-oxan-2-one

Systemtic Name: 6-[(E)-2-[4-(3,5-dimethylphenyl)-2,2-dimethyl-thiochromen-3-yl]ethenyl]-4-oxidanyl-oxan-2-one Openeye Name: 6-[(E)-2-[4-(3,5-dimethylphenyl)-2,2-dimethyl-thiochromen-3-yl]vinyl]-4-hydroxy-tetrahydropyran-2-one CAS Name: 6-[(E)-2-[4-(3,5-dimethylphenyl)-2,2-dimethyl-1-benzothiopyran-3-yl]ethenyl]-4-hydroxy-2-oxanone IUPAC Name: 6-[(E)-2-[4-(3,5-dimethylphenyl)-2,2-dimethylthiochromen-3-yl]ethenyl]-4-hydroxyoxan-2-one Traditional Name: 6-[(E)-2-[4-(3,5-dimethylphenyl)-2,2-dimethyl-thiochromen-3-yl]vinyl]-4-hydroxy-tetrahydropyran-2-one Formula: C26H28O3S MolecularWeight: 420.56372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C(SC3=CC=CC=C32)(C)C)C=CC4CC(CC(=O)O4)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C(SC3=CC=CC=C32)(C)C)/C=C/C4CC(CC(=O)O4)O)C

InChI

InChI=1S/C26H28O3S/c1-16-11-17(2)13-18(12-16)25-21-7-5-6-8-23(21)30-26(3,4)22(25)10-9-20-14-19(27)15-24(28)29-20/h5-13,19-20,27H,14-15H2,1-4H3/b10-9+