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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCSC2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)CCC

Isomeric SMILES

CCCC1(CCSC2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)CCC

InChI

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