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

Systemtic Name: 4-[2-(4,4-diethyl-7-propyl-2,3-dihydrothiochromen-6-yl)ethynyl]benzoic acid Openeye Name: 4-[2-(4,4-diethyl-7-propyl-thiochroman-6-yl)ethynyl]benzoic acid CAS Name: 4-[2-(4,4-diethyl-7-propyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]benzoic acid IUPAC Name: 4-[2-(4,4-diethyl-7-propyl-2,3-dihydrothiochromen-6-yl)ethynyl]benzoic acid Traditional Name: 4-[2-(4,4-diethyl-7-propyl-thiochroman-6-yl)ethynyl]benzoic acid Formula: C25H28O2S MolecularWeight: 392.55362

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(=O)O)C(CCS2)(CC)CC

Isomeric SMILES

CCCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(=O)O)C(CCS2)(CC)CC

InChI

InChI=1S/C25H28O2S/c1-4-7-20-17-23-22(25(5-2,6-3)14-15-28-23)16-21(20)13-10-18-8-11-19(12-9-18)24(26)27/h8-9,11-12,16-17H,4-7,14-15H2,1-3H3,(H,26,27)