2-methyl-4-[(E)-2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)prop-1-enyl]benzoic acid

Systemtic Name: 2-methyl-4-[(E)-2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)prop-1-enyl]benzoic acid Openeye Name: 2-methyl-4-[(E)-2-(2,2,4,4-tetramethylthiochroman-6-yl)prop-1-enyl]benzoic acid CAS Name: 2-methyl-4-[(E)-2-(2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)prop-1-enyl]benzoic acid IUPAC Name: 2-methyl-4-[(E)-2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)prop-1-enyl]benzoic acid Traditional Name: 2-methyl-4-[(E)-2-(2,2,4,4-tetramethylthiochroman-6-yl)prop-1-enyl]benzoic acid Formula: C24H28O2S MolecularWeight: 380.54292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=C(C)C2=CC3=C(C=C2)SC(CC3(C)C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)/C=C(\C)/C2=CC3=C(C=C2)SC(CC3(C)C)(C)C)C(=O)O

InChI

InChI=1S/C24H28O2S/c1-15(11-17-7-9-19(22(25)26)16(2)12-17)18-8-10-21-20(13-18)23(3,4)14-24(5,6)27-21/h7-13H,14H2,1-6H3,(H,25,26)/b15-11+