sodium; 2-(2-methylprop-2-enoyloxy)ethanesulfonate; (2E)-2-[(E)-3-phenylprop-2-enylidene]heptanoic acid

Systemtic Name: sodium; 2-(2-methylprop-2-enoyloxy)ethanesulfonate; (2E)-2-[(E)-3-phenylprop-2-enylidene]heptanoic acid Openeye Name: sodium; 2-(2-methylprop-2-enoyloxy)ethanesulfonate; (2E)-2-[(E)-3-phenylprop-2-enylidene]heptanoic acid CAS Name: sodium; 2-(2-methyl-1-oxoprop-2-enoxy)ethanesulfonate; (2E)-2-[(E)-3-phenylprop-2-enylidene]heptanoic acid IUPAC Name: sodium; 2-(2-methylprop-2-enoyloxy)ethanesulfonate; (2E)-2-[(E)-3-phenylprop-2-enylidene]heptanoic acid Traditional Name: sodium; (2E,4E)-2-amyl-5-phenyl-penta-2,4-dienoic acid; 2-methacryloyloxyethanesulfonate Formula: C22H29NaO7S MolecularWeight: 460.51623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC=CC1=CC=CC=C1)C(=O)O.CC(=C)C(=O)OCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCC/C(=C\C=C\C1=CC=CC=C1)/C(=O)O.CC(=C)C(=O)OCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H20O2.C6H10O5S.Na/c1-2-3-5-12-15(16(17)18)13-8-11-14-9-6-4-7-10-14;1-5(2)6(7)11-3-4-12(8,9)10;/h4,6-11,13H,2-3,5,12H2,1H3,(H,17,18);1,3-4H2,2H3,(H,8,9,10);/q;;+1/p-1/b11-8+,15-13+;;