4-[2-(4,4,7-triethyl-2,3-dihydrothiochromen-6-yl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(4,4,7-triethyl-2,3-dihydrothiochromen-6-yl)ethynyl]benzoic acid Openeye Name: 4-[2-(4,4,7-triethylthiochroman-6-yl)ethynyl]benzoic acid CAS Name: 4-[2-(4,4,7-triethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]benzoic acid IUPAC Name: 4-[2-(4,4,7-triethyl-2,3-dihydrothiochromen-6-yl)ethynyl]benzoic acid Traditional Name: 4-[2-(4,4,7-triethylthiochroman-6-yl)ethynyl]benzoic acid Formula: C24H26O2S MolecularWeight: 378.52704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(=O)O)C(CCS2)(CC)CC

Isomeric SMILES

CCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(=O)O)C(CCS2)(CC)CC

InChI

InChI=1S/C24H26O2S/c1-4-18-16-22-21(24(5-2,6-3)13-14-27-22)15-20(18)12-9-17-7-10-19(11-8-17)23(25)26/h7-8,10-11,15-16H,4-6,13-14H2,1-3H3,(H,25,26)