4-[3-[5-(2-methoxyethoxy)-4,4-dimethyl-thiochromen-7-yl]-3-oxidanyl-prop-1-ynyl]benzoic acid

Systemtic Name: 4-[3-[5-(2-methoxyethoxy)-4,4-dimethyl-thiochromen-7-yl]-3-oxidanyl-prop-1-ynyl]benzoic acid Openeye Name: 4-[3-hydroxy-3-[5-(2-methoxyethoxy)-4,4-dimethyl-thiochromen-7-yl]prop-1-ynyl]benzoic acid CAS Name: 4-[3-hydroxy-3-[5-(2-methoxyethoxy)-4,4-dimethyl-1-benzothiopyran-7-yl]prop-1-ynyl]benzoic acid IUPAC Name: 4-[3-hydroxy-3-[5-(2-methoxyethoxy)-4,4-dimethylthiochromen-7-yl]prop-1-ynyl]benzoic acid Traditional Name: 4-[3-hydroxy-3-[5-(2-methoxyethoxy)-4,4-dimethyl-thiochromen-7-yl]prop-1-ynyl]benzoic acid Formula: C24H24O5S MolecularWeight: 424.50936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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