4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-1,3-dithian-2-yl]benzoic acid

Systemtic Name: 4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-1,3-dithian-2-yl]benzoic acid Openeye Name: 4-[2-(4,4-dimethylthiochroman-6-yl)-1,3-dithian-2-yl]benzoic acid CAS Name: 4-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)-1,3-dithian-2-yl]benzoic acid IUPAC Name: 4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-1,3-dithian-2-yl]benzoic acid Traditional Name: 4-[2-(4,4-dimethylthiochroman-6-yl)-1,3-dithian-2-yl]benzoic acid Formula: C22H24O2S3 MolecularWeight: 416.61976

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C3(SCCCS3)C4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C3(SCCCS3)C4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C22H24O2S3/c1-21(2)10-13-25-19-9-8-17(14-18(19)21)22(26-11-3-12-27-22)16-6-4-15(5-7-16)20(23)24/h4-9,14H,3,10-13H2,1-2H3,(H,23,24)