4-[(4-but-2-ynoxyphenyl)sulfanylmethyl]oxane-4-carboxylic acid

Systemtic Name: 4-[(4-but-2-ynoxyphenyl)sulfanylmethyl]oxane-4-carboxylic acid Openeye Name: 4-[(4-but-2-ynoxyphenyl)sulfanylmethyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[[(4-but-2-ynoxyphenyl)thio]methyl]-4-oxanecarboxylic acid IUPAC Name: 4-[(4-but-2-ynoxyphenyl)sulfanylmethyl]oxane-4-carboxylic acid Traditional Name: 4-[[(4-but-2-ynoxyphenyl)thio]methyl]tetrahydropyran-4-carboxylic acid Formula: C17H20O4S MolecularWeight: 320.4033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)SCC2(CCOCC2)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)SCC2(CCOCC2)C(=O)O

InChI

InChI=1S/C17H20O4S/c1-2-3-10-21-14-4-6-15(7-5-14)22-13-17(16(18)19)8-11-20-12-9-17/h4-7H,8-13H2,1H3,(H,18,19)