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

Systemtic Name: 4-[(E)-2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-(2,2,4,4-tetramethylthiochroman-6-yl)prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-(2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)prop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)prop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-(2,2,4,4-tetramethylthiochroman-6-yl)prop-1-enyl]benzoic acid Formula: C23H26O2S MolecularWeight: 366.51634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26O2S/c1-15(12-16-6-8-17(9-7-16)21(24)25)18-10-11-20-19(13-18)22(2,3)14-23(4,5)26-20/h6-13H,14H2,1-5H3,(H,24,25)/b15-12+