2-nitro-5-[3-[2-(2-propylphenyl)phenyl]butoxy]indene-1,3-dione

Systemtic Name: 2-nitro-5-[3-[2-(2-propylphenyl)phenyl]butoxy]indene-1,3-dione Openeye Name: 2-nitro-5-[3-[2-(2-propylphenyl)phenyl]butoxy]indane-1,3-dione CAS Name: 2-nitro-5-[3-[2-(2-propylphenyl)phenyl]butoxy]indene-1,3-dione IUPAC Name: 2-nitro-5-[3-[2-(2-propylphenyl)phenyl]butoxy]indene-1,3-dione Traditional Name: 2-nitro-5-[3-[2-(2-propylphenyl)phenyl]butoxy]indane-1,3-quinone Formula: C28H27NO5 MolecularWeight: 457.51768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1C2=CC=CC=C2C(C)CCOC3=CC4=C(C=C3)C(=O)C(C4=O)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=CC=C1C2=CC=CC=C2C(C)CCOC3=CC4=C(C=C3)C(=O)C(C4=O)[N+](=O)[O-]

InChI

InChI=1S/C28H27NO5/c1-3-8-19-9-4-5-11-22(19)23-12-7-6-10-21(23)18(2)15-16-34-20-13-14-24-25(17-20)28(31)26(27(24)30)29(32)33/h4-7,9-14,17-18,26H,3,8,15-16H2,1-2H3