2-[4-(4-chlorophenyl)cyclohexyl]-3-octadecoxy-naphthalene-1,4-dione

Systemtic Name: 2-[4-(4-chlorophenyl)cyclohexyl]-3-octadecoxy-naphthalene-1,4-dione Openeye Name: 2-[4-(4-chlorophenyl)cyclohexyl]-3-octadecoxy-naphthalene-1,4-dione CAS Name: 2-[4-(4-chlorophenyl)cyclohexyl]-3-octadecoxynaphthalene-1,4-dione IUPAC Name: 2-[4-(4-chlorophenyl)cyclohexyl]-3-octadecoxynaphthalene-1,4-dione Traditional Name: 2-[4-(4-chlorophenyl)cyclohexyl]-3-stearyloxy-1,4-naphthoquinone Formula: C40H55ClO3 MolecularWeight: 619.3159

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(C(=O)C2=CC=CC=C2C1=O)C3CCC(CC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(C(=O)C2=CC=CC=C2C1=O)C3CCC(CC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C40H55ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-30-44-40-37(38(42)35-20-17-18-21-36(35)39(40)43)33-24-22-31(23-25-33)32-26-28-34(41)29-27-32/h17-18,20-21,26-29,31,33H,2-16,19,22-25,30H2,1H3