ethyl ethanoate; heptane; methylbenzene; (Z)-4-oxidanylidenepent-2-en-2-olate; propan-2-ol

Systemtic Name: ethyl ethanoate; heptane; methylbenzene; (Z)-4-oxidanylidenepent-2-en-2-olate; propan-2-ol Openeye Name: ethyl acetate; heptane; (Z)-4-oxopent-2-en-2-olate; propan-2-ol; toluene CAS Name: acetic acid ethyl ester; heptane; (Z)-4-oxo-2-penten-2-olate; 2-propanol; toluene IUPAC Name: ethyl acetate; heptane; (Z)-4-oxopent-2-en-2-olate; propan-2-ol; toluene Traditional Name: acetic acid ethyl ester; (Z)-4-ketopent-2-en-2-olate; n-heptane; propan-2-ol; toluene Formula: C26H47O5- MolecularWeight: 439.64838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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;3,6H,1-2H3;3H2,1-2H3;3-4H,1-2H3/p-1/b;;4-3-;;