1-chloranylbutane; 1,2-dimethylbenzene; 3-methyl-1-(3-methylbutoxy)butane

Systemtic Name: 1-chloranylbutane; 1,2-dimethylbenzene; 3-methyl-1-(3-methylbutoxy)butane Openeye Name: 1-chlorobutane; 1-isopentyloxy-3-methyl-butane; o-xylene CAS Name: 1-chlorobutane; 3-methyl-1-(3-methylbutoxy)butane; 1,2-xylene IUPAC Name: 1-chlorobutane; 3-methyl-1-(3-methylbutoxy)butane; 1,2-xylene Traditional Name: 1-chlorobutane; 1-isoamoxy-3-methyl-butane; o-xylene Formula: C22H41ClO MolecularWeight: 357.01334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCl.CC1=CC=CC=C1C.CC(C)CCOCCC(C)C

Isomeric SMILES

CCCCCl.CC1=CC=CC=C1C.CC(C)CCOCCC(C)C

InChI

InChI=1S/C10H22O.C8H10.C4H9Cl/c1-9(2)5-7-11-8-6-10(3)4;1-7-5-3-4-6-8(7)2;1-2-3-4-5/h9-10H,5-8H2,1-4H3;3-6H,1-2H3;2-4H2,1H3