2-chloranyl-3-methyl-pentanoate; 1-octoxy-4-phenyl-benzene

Systemtic Name: 2-chloranyl-3-methyl-pentanoate; 1-octoxy-4-phenyl-benzene Openeye Name: 2-chloro-3-methyl-pentanoate; 1-octoxy-4-phenyl-benzene CAS Name: 2-chloro-3-methylpentanoate; 1-octoxy-4-phenylbenzene IUPAC Name: 2-chloro-3-methylpentanoate; 1-octoxy-4-phenylbenzene Traditional Name: 2-chloro-3-methyl-valerate; 1-octoxy-4-phenyl-benzene Formula: C26H36ClO3- MolecularWeight: 432.01524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2.CCC(C)C(C(=O)[O-])Cl

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2.CCC(C)C(C(=O)[O-])Cl

InChI

InChI=1S/C20H26O.C6H11ClO2/c1-2-3-4-5-6-10-17-21-20-15-13-19(14-16-20)18-11-8-7-9-12-18;1-3-4(2)5(7)6(8)9/h7-9,11-16H,2-6,10,17H2,1H3;4-5H,3H2,1-2H3,(H,8,9)/p-1