2-(4-but-2-ynoxyphenyl)sulfonyl-7-cyano-heptanoic acid

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-7-cyano-heptanoic acid Openeye Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-7-cyano-heptanoic acid CAS Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-7-cyanoheptanoic acid IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-7-cyanoheptanoic acid Traditional Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-7-cyano-enanthic acid Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(CCCCCC#N)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(CCCCCC#N)C(=O)O

InChI

InChI=1S/C18H21NO5S/c1-2-3-14-24-15-9-11-16(12-10-15)25(22,23)17(18(20)21)8-6-4-5-7-13-19/h9-12,17H,4-8,14H2,1H3,(H,20,21)