ethyl ethanoate; heptane; methylbenzene; pentane-2,4-dione; propan-2-ol

Systemtic Name: ethyl ethanoate; heptane; methylbenzene; pentane-2,4-dione; propan-2-ol Openeye Name: ethyl acetate; heptane; pentane-2,4-dione; propan-2-ol; toluene CAS Name: acetic acid ethyl ester; heptane; pentane-2,4-dione; 2-propanol; toluene IUPAC Name: ethyl acetate; heptane; pentane-2,4-dione; propan-2-ol; toluene Traditional Name: acetic acid ethyl ester; n-heptane; pentane-2,4-dione; propan-2-ol; toluene Formula: C26H48O5 MolecularWeight: 440.65632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC.CCOC(=O)C.CC1=CC=CC=C1.CC(C)O.CC(=O)CC(=O)C

Isomeric SMILES

CCCCCCC.CCOC(=O)C.CC1=CC=CC=C1.CC(C)O.CC(=O)CC(=O)C

InChI

InChI=1S/C7H8.C7H16.C5H8O2.C4H8O2.C3H8O/c1-7-5-3-2-4-6-7;1-3-5-7-6-4-2;1-4(6)3-5(2)7;1-3-6-4(2)5;1-3(2)4/h2-6H,1H3;3-7H2,1-2H3;3H2,1-2H3;3H2,1-2H3;3-4H,1-2H3