4-methyl-2-[[3-[(2E,5E)-octa-2,5,7-trienyl]oxiran-2-yl]methyl]benzenesulfonate

Systemtic Name: 4-methyl-2-[[3-[(2E,5E)-octa-2,5,7-trienyl]oxiran-2-yl]methyl]benzenesulfonate Openeye Name: 4-methyl-2-[[3-[(2E,5E)-octa-2,5,7-trienyl]oxiran-2-yl]methyl]benzenesulfonate CAS Name: 4-methyl-2-[[3-[(2E,5E)-octa-2,5,7-trienyl]-2-oxiranyl]methyl]benzenesulfonate IUPAC Name: 4-methyl-2-[[3-[(2E,5E)-octa-2,5,7-trienyl]oxiran-2-yl]methyl]benzenesulfonate Traditional Name: 4-methyl-2-[[3-[(2E,5E)-octa-2,5,7-trienyl]oxiran-2-yl]methyl]besylate Formula: C18H21O4S- MolecularWeight: 333.42194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[O-])CC2C(O2)CC=CCC=CC=C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)[O-])CC2C(O2)C/C=C/C/C=C/C=C

InChI

InChI=1S/C18H22O4S/c1-3-4-5-6-7-8-9-16-17(22-16)13-15-12-14(2)10-11-18(15)23(19,20)21/h3-5,7-8,10-12,16-17H,1,6,9,13H2,2H3,(H,19,20,21)/p-1/b5-4+,8-7+