methylbenzene; 3-methylbutanoate

Systemtic Name: methylbenzene; 3-methylbutanoate Openeye Name: 3-methylbutanoate; toluene CAS Name: 3-methylbutanoate; toluene IUPAC Name: 3-methylbutanoate; toluene Traditional Name: 3-methylbutyrate; toluene Formula: C12H17O2- MolecularWeight: 193.26218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8.C5H10O2/c1-7-5-3-2-4-6-7;1-4(2)3-5(6)7/h2-6H,1H3;4H,3H2,1-2H3,(H,6,7)/p-1