(E)-3-methoxy-2-methyl-4-oxidanyl-4-[2-(phenylsulfonyl)oxan-2-yl]but-2-enoic acid

Systemtic Name: (E)-3-methoxy-2-methyl-4-oxidanyl-4-[2-(phenylsulfonyl)oxan-2-yl]but-2-enoic acid Openeye Name: (E)-4-[2-(benzenesulfonyl)tetrahydropyran-2-yl]-4-hydroxy-3-methoxy-2-methyl-but-2-enoic acid CAS Name: (E)-4-[2-(benzenesulfonyl)-2-oxanyl]-4-hydroxy-3-methoxy-2-methyl-2-butenoic acid IUPAC Name: (E)-4-[2-(benzenesulfonyl)oxan-2-yl]-4-hydroxy-3-methoxy-2-methylbut-2-enoic acid Traditional Name: (E)-4-(2-besyltetrahydropyran-2-yl)-4-hydroxy-3-methoxy-2-methyl-but-2-enoic acid Formula: C17H22O7S MolecularWeight: 370.41738

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(C1(CCCCO1)S(=O)(=O)C2=CC=CC=C2)O)OC)C(=O)O

Isomeric SMILES

C/C(=C(/C(C1(CCCCO1)S(=O)(=O)C2=CC=CC=C2)O)\OC)/C(=O)O

InChI

InChI=1S/C17H22O7S/c1-12(16(19)20)14(23-2)15(18)17(10-6-7-11-24-17)25(21,22)13-8-4-3-5-9-13/h3-5,8-9,15,18H,6-7,10-11H2,1-2H3,(H,19,20)/b14-12+