5-[5-[2-(4,4-diethyl-2,3-dihydrochromen-6-yl)ethynyl]thiophen-2-yl]pentanoic acid

Systemtic Name: 5-[5-[2-(4,4-diethyl-2,3-dihydrochromen-6-yl)ethynyl]thiophen-2-yl]pentanoic acid Openeye Name: 5-[5-[2-(4,4-diethylchroman-6-yl)ethynyl]-2-thienyl]pentanoic acid CAS Name: 5-[5-[2-(4,4-diethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-2-thiophenyl]pentanoic acid IUPAC Name: 5-[5-[2-(4,4-diethyl-2,3-dihydrochromen-6-yl)ethynyl]thiophen-2-yl]pentanoic acid Traditional Name: 5-[5-[2-(4,4-diethylchroman-6-yl)ethynyl]-2-thienyl]valeric acid Formula: C24H28O3S MolecularWeight: 396.54232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCOC2=C1C=C(C=C2)C#CC3=CC=C(S3)CCCCC(=O)O)CC

Isomeric SMILES

CCC1(CCOC2=C1C=C(C=C2)C#CC3=CC=C(S3)CCCCC(=O)O)CC

InChI

InChI=1S/C24H28O3S/c1-3-24(4-2)15-16-27-22-14-10-18(17-21(22)24)9-11-20-13-12-19(28-20)7-5-6-8-23(25)26/h10,12-14,17H,3-8,15-16H2,1-2H3,(H,25,26)