2-[5-[1,4-bis(oxidanylidene)naphthalen-2-yl]-1-hexadecyl-pyrrol-2-yl]naphthalene-1,4-dione

Systemtic Name: 2-[5-[1,4-bis(oxidanylidene)naphthalen-2-yl]-1-hexadecyl-pyrrol-2-yl]naphthalene-1,4-dione Openeye Name: 2-[5-(1,4-dioxo-2-naphthyl)-1-hexadecyl-pyrrol-2-yl]naphthalene-1,4-dione CAS Name: 2-[5-(1,4-dioxo-2-naphthalenyl)-1-hexadecyl-2-pyrrolyl]naphthalene-1,4-dione IUPAC Name: 2-[5-(1,4-dioxonaphthalen-2-yl)-1-hexadecylpyrrol-2-yl]naphthalene-1,4-dione Traditional Name: 2-[1-cetyl-5-(1,4-diketo-2-naphthyl)pyrrol-2-yl]-1,4-naphthoquinone Formula: C40H45NO4 MolecularWeight: 603.7896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C(=CC=C1C2=CC(=O)C3=CC=CC=C3C2=O)C4=CC(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C(=CC=C1C2=CC(=O)C3=CC=CC=C3C2=O)C4=CC(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C40H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-26-41-35(33-27-37(42)29-20-15-17-22-31(29)39(33)44)24-25-36(41)34-28-38(43)30-21-16-18-23-32(30)40(34)45/h15-18,20-25,27-28H,2-14,19,26H2,1H3