4-methylpentanoate; (Z)-2-methyl-4-phenyl-but-2-enoate

Systemtic Name: 4-methylpentanoate; (Z)-2-methyl-4-phenyl-but-2-enoate Openeye Name: 4-methylpentanoate; (Z)-2-methyl-4-phenyl-but-2-enoate CAS Name: 4-methylpentanoate; (Z)-2-methyl-4-phenyl-2-butenoate IUPAC Name: 4-methylpentanoate; (Z)-2-methyl-4-phenylbut-2-enoate Traditional Name: (Z)-2-methyl-4-phenyl-but-2-enoate; 4-methylvalerate Formula: C17H22O4-2 MolecularWeight: 290.35418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)[O-].CC(=CCC1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

CC(C)CCC(=O)[O-].C/C(=C/CC1=CC=CC=C1)/C(=O)[O-]

InChI

InChI=1S/C11H12O2.C6H12O2/c1-9(11(12)13)7-8-10-5-3-2-4-6-10;1-5(2)3-4-6(7)8/h2-7H,8H2,1H3,(H,12,13);5H,3-4H2,1-2H3,(H,7,8)/p-2/b9-7-;