5-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]thiophene-2-carboxylic acid Openeye Name: 5-[2-(4,4-dimethylchroman-6-yl)ethynyl]thiophene-2-carboxylic acid CAS Name: 5-[2-(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]thiophene-2-carboxylic acid Traditional Name: 5-[2-(4,4-dimethylchroman-6-yl)ethynyl]-2-thenoic acid Formula: C18H16O3S MolecularWeight: 312.38284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCOC2=C1C=C(C=C2)C#CC3=CC=C(S3)C(=O)O)C

Isomeric SMILES

CC1(CCOC2=C1C=C(C=C2)C#CC3=CC=C(S3)C(=O)O)C

InChI

InChI=1S/C18H16O3S/c1-18(2)9-10-21-15-7-4-12(11-14(15)18)3-5-13-6-8-16(22-13)17(19)20/h4,6-8,11H,9-10H2,1-2H3,(H,19,20)