2-[3-[2-(4,4-diethyl-7-methyl-2,3-dihydrochromen-6-yl)ethynyl]thiophen-2-yl]ethanoic acid

Systemtic Name: 2-[3-[2-(4,4-diethyl-7-methyl-2,3-dihydrochromen-6-yl)ethynyl]thiophen-2-yl]ethanoic acid Openeye Name: 2-[3-[2-(4,4-diethyl-7-methyl-chroman-6-yl)ethynyl]-2-thienyl]acetic acid CAS Name: 2-[3-[2-(4,4-diethyl-7-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-2-thiophenyl]acetic acid IUPAC Name: 2-[3-[2-(4,4-diethyl-7-methyl-2,3-dihydrochromen-6-yl)ethynyl]thiophen-2-yl]acetic acid Traditional Name: 2-[3-[2-(4,4-diethyl-7-methyl-chroman-6-yl)ethynyl]-2-thienyl]acetic acid Formula: C22H24O3S MolecularWeight: 368.48916

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCOC2=C1C=C(C(=C2)C)C#CC3=C(SC=C3)CC(=O)O)CC

Isomeric SMILES

CCC1(CCOC2=C1C=C(C(=C2)C)C#CC3=C(SC=C3)CC(=O)O)CC

InChI

InChI=1S/C22H24O3S/c1-4-22(5-2)9-10-25-19-12-15(3)17(13-18(19)22)7-6-16-8-11-26-20(16)14-21(23)24/h8,11-13H,4-5,9-10,14H2,1-3H3,(H,23,24)