2-(4-but-2-ynoxyphenyl)sulfonyloxy-3-methyl-benzoic acid

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfonyloxy-3-methyl-benzoic acid Openeye Name: 2-(4-but-2-ynoxyphenyl)sulfonyloxy-3-methyl-benzoic acid CAS Name: 2-(4-but-2-ynoxyphenyl)sulfonyloxy-3-methylbenzoic acid IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfonyloxy-3-methylbenzoic acid Traditional Name: 2-(4-but-2-ynoxyphenyl)sulfonyloxy-3-methyl-benzoic acid Formula: C18H16O6S MolecularWeight: 360.38104

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2C)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2C)C(=O)O

InChI

InChI=1S/C18H16O6S/c1-3-4-12-23-14-8-10-15(11-9-14)25(21,22)24-17-13(2)6-5-7-16(17)18(19)20/h5-11H,12H2,1-2H3,(H,19,20)