2-chloranyl-3-methyl-pentanoic acid; 1-octan-4-yloxy-4-phenyl-benzene

Systemtic Name: 2-chloranyl-3-methyl-pentanoic acid; 1-octan-4-yloxy-4-phenyl-benzene Openeye Name: 2-chloro-3-methyl-pentanoic acid; 1-phenyl-4-(1-propylpentoxy)benzene CAS Name: 2-chloro-3-methylpentanoic acid; 1-octan-4-yloxy-4-phenylbenzene IUPAC Name: 2-chloro-3-methylpentanoic acid; 1-octan-4-yloxy-4-phenylbenzene Traditional Name: 2-chloro-3-methyl-valeric acid; 1-phenyl-4-(1-propylpentoxy)benzene Formula: C26H37ClO3 MolecularWeight: 433.02318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)OC1=CC=C(C=C1)C2=CC=CC=C2.CCC(C)C(C(=O)O)Cl

Isomeric SMILES

CCCCC(CCC)OC1=CC=C(C=C1)C2=CC=CC=C2.CCC(C)C(C(=O)O)Cl

InChI

InChI=1S/C20H26O.C6H11ClO2/c1-3-5-12-19(9-4-2)21-20-15-13-18(14-16-20)17-10-7-6-8-11-17;1-3-4(2)5(7)6(8)9/h6-8,10-11,13-16,19H,3-5,9,12H2,1-2H3;4-5H,3H2,1-2H3,(H,8,9)