sodium; 2-methylidenehexanoate; (Z)-2-methyl-3-[2-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoic acid

Systemtic Name: sodium; 2-methylidenehexanoate; (Z)-2-methyl-3-[2-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoic acid Openeye Name: sodium; 2-methylenehexanoate; (Z)-2-methyl-3-[2-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoic acid CAS Name: sodium; 2-methylenehexanoate; (Z)-2-methyl-3-[2-(2-methyl-1-oxoprop-2-enoxy)phenyl]-2-propenoic acid IUPAC Name: sodium; 2-methylidenehexanoate; (Z)-2-methyl-3-[2-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoic acid Traditional Name: sodium; 2-butylacrylate; (Z)-3-(2-methacryloyloxyphenyl)-2-methyl-acrylic acid Formula: C21H25NaO6 MolecularWeight: 396.40937

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C)C(=O)[O-].CC(=C)C(=O)OC1=CC=CC=C1C=C(C)C(=O)O.[Na+]

Isomeric SMILES

CCCCC(=C)C(=O)[O-].CC(=C)C(=O)OC1=CC=CC=C1/C=C(/C)\C(=O)O.[Na+]

InChI

InChI=1S/C14H14O4.C7H12O2.Na/c1-9(2)14(17)18-12-7-5-4-6-11(12)8-10(3)13(15)16;1-3-4-5-6(2)7(8)9;/h4-8H,1H2,2-3H3,(H,15,16);2-5H2,1H3,(H,8,9);/q;;+1/p-1/b10-8-;;