ethanoic acid; methylbenzene; oxolane; hydrate

Systemtic Name: ethanoic acid; methylbenzene; oxolane; hydrate Openeye Name: acetic acid; tetrahydrofuran; toluene; hydrate CAS Name: acetic acid; oxolane; toluene; hydrate IUPAC Name: acetic acid; oxolane; toluene; hydrate Traditional Name: acetic acid; tetrahydrofuran; toluene; hydrate Formula: C13H22O4 MolecularWeight: 242.31138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC(=O)O.C1CCOC1.O

Isomeric SMILES

CC1=CC=CC=C1.CC(=O)O.C1CCOC1.O

InChI

InChI=1S/C7H8.C4H8O.C2H4O2.H2O/c1-7-5-3-2-4-6-7;1-2-4-5-3-1;1-2(3)4;/h2-6H,1H3;1-4H2;1H3,(H,3,4);1H2