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

Systemtic Name: 4-[3-[8-(2-ethoxyethoxy)-4,4-dimethyl-2,3-dihydrothiochromen-6-yl]-3-oxidanyl-prop-1-ynyl]benzoic acid Openeye Name: 4-[3-[8-(2-ethoxyethoxy)-4,4-dimethyl-thiochroman-6-yl]-3-hydroxy-prop-1-ynyl]benzoic acid CAS Name: 4-[3-[8-(2-ethoxyethoxy)-4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl]-3-hydroxyprop-1-ynyl]benzoic acid IUPAC Name: 4-[3-[8-(2-ethoxyethoxy)-4,4-dimethyl-2,3-dihydrothiochromen-6-yl]-3-hydroxyprop-1-ynyl]benzoic acid Traditional Name: 4-[3-[8-(2-ethoxyethoxy)-4,4-dimethyl-thiochroman-6-yl]-3-hydroxy-prop-1-ynyl]benzoic acid Formula: C25H28O5S MolecularWeight: 440.55182

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=C2C(=CC(=C1)C(C#CC3=CC=C(C=C3)C(=O)O)O)C(CCS2)(C)C

Isomeric SMILES

CCOCCOC1=C2C(=CC(=C1)C(C#CC3=CC=C(C=C3)C(=O)O)O)C(CCS2)(C)C

InChI

InChI=1S/C25H28O5S/c1-4-29-12-13-30-22-16-19(15-20-23(22)31-14-11-25(20,2)3)21(26)10-7-17-5-8-18(9-6-17)24(27)28/h5-6,8-9,15-16,21,26H,4,11-14H2,1-3H3,(H,27,28)