1-chloranyl-2-pentyl-benzene; 1-chloranyl-3-pentyl-benzene; 2,5-diphenylpyrimidine

Systemtic Name: 1-chloranyl-2-pentyl-benzene; 1-chloranyl-3-pentyl-benzene; 2,5-diphenylpyrimidine Openeye Name: 1-chloro-2-pentyl-benzene; 1-chloro-3-pentyl-benzene; 2,5-diphenylpyrimidine CAS Name: 1-chloro-2-pentylbenzene; 1-chloro-3-pentylbenzene; 2,5-diphenylpyrimidine IUPAC Name: 1-chloro-2-pentylbenzene; 1-chloro-3-pentylbenzene; 2,5-diphenylpyrimidine Traditional Name: 1-amyl-2-chloro-benzene; 1-amyl-3-chloro-benzene; 2,5-diphenylpyrimidine Formula: C38H42Cl2N2 MolecularWeight: 597.65948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=CC=C1)Cl.CCCCCC1=CC=CC=C1Cl.C1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCC1=CC(=CC=C1)Cl.CCCCCC1=CC=CC=C1Cl.C1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H12N2.2C11H15Cl/c1-3-7-13(8-4-1)15-11-17-16(18-12-15)14-9-5-2-6-10-14;1-2-3-4-7-10-8-5-6-9-11(10)12;1-2-3-4-6-10-7-5-8-11(12)9-10/h1-12H;5-6,8-9H,2-4,7H2,1H3;5,7-9H,2-4,6H2,1H3