4-[3-[8-(2-methoxyethoxy)-4,4-dimethyl-thiochromen-6-yl]-3-oxidanyl-prop-1-ynyl]benzoic acid

Systemtic Name: 4-[3-[8-(2-methoxyethoxy)-4,4-dimethyl-thiochromen-6-yl]-3-oxidanyl-prop-1-ynyl]benzoic acid Openeye Name: 4-[3-hydroxy-3-[8-(2-methoxyethoxy)-4,4-dimethyl-thiochromen-6-yl]prop-1-ynyl]benzoic acid CAS Name: 4-[3-hydroxy-3-[8-(2-methoxyethoxy)-4,4-dimethyl-1-benzothiopyran-6-yl]prop-1-ynyl]benzoic acid IUPAC Name: 4-[3-hydroxy-3-[8-(2-methoxyethoxy)-4,4-dimethylthiochromen-6-yl]prop-1-ynyl]benzoic acid Traditional Name: 4-[3-hydroxy-3-[8-(2-methoxyethoxy)-4,4-dimethyl-thiochromen-6-yl]prop-1-ynyl]benzoic acid Formula: C24H24O5S MolecularWeight: 424.50936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CSC2=C(C=C(C=C21)C(C#CC3=CC=C(C=C3)C(=O)O)O)OCCOC)C

Isomeric SMILES

CC1(C=CSC2=C(C=C(C=C21)C(C#CC3=CC=C(C=C3)C(=O)O)O)OCCOC)C

InChI

InChI=1S/C24H24O5S/c1-24(2)10-13-30-22-19(24)14-18(15-21(22)29-12-11-28-3)20(25)9-6-16-4-7-17(8-5-16)23(26)27/h4-5,7-8,10,13-15,20,25H,11-12H2,1-3H3,(H,26,27)