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

Systemtic Name: 2-[5-[1,4-bis(oxidanylidene)naphthalen-2-yl]-1-octyl-pyrrol-2-yl]naphthalene-1,4-dione Openeye Name: 2-[5-(1,4-dioxo-2-naphthyl)-1-octyl-pyrrol-2-yl]naphthalene-1,4-dione CAS Name: 2-[5-(1,4-dioxo-2-naphthalenyl)-1-octyl-2-pyrrolyl]naphthalene-1,4-dione IUPAC Name: 2-[5-(1,4-dioxonaphthalen-2-yl)-1-octylpyrrol-2-yl]naphthalene-1,4-dione Traditional Name: 2-[5-(1,4-diketo-2-naphthyl)-1-octyl-pyrrol-2-yl]-1,4-naphthoquinone Formula: C32H29NO4 MolecularWeight: 491.57696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=CC=C1C2=CC(=O)C3=CC=CC=C3C2=O)C4=CC(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCCCCCCCN1C(=CC=C1C2=CC(=O)C3=CC=CC=C3C2=O)C4=CC(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C32H29NO4/c1-2-3-4-5-6-11-18-33-27(25-19-29(34)21-12-7-9-14-23(21)31(25)36)16-17-28(33)26-20-30(35)22-13-8-10-15-24(22)32(26)37/h7-10,12-17,19-20H,2-6,11,18H2,1H3