3-[4-[bis(2-hexyloctyl)amino]phenyl]-4-chloranyl-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[4-[bis(2-hexyloctyl)amino]phenyl]-4-chloranyl-cyclobut-3-ene-1,2-dione Openeye Name: 3-[4-[bis(2-hexyloctyl)amino]phenyl]-4-chloro-cyclobut-3-ene-1,2-dione CAS Name: 3-[4-[bis(2-hexyloctyl)amino]phenyl]-4-chlorocyclobut-3-ene-1,2-dione IUPAC Name: 3-[4-[bis(2-hexyloctyl)amino]phenyl]-4-chlorocyclobut-3-ene-1,2-dione Traditional Name: 3-[4-[bis(2-hexyloctyl)amino]phenyl]-4-chloro-cyclobut-3-ene-1,2-quinone Formula: C38H62ClNO2 MolecularWeight: 600.35738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCC)CN(CC(CCCCCC)CCCCCC)C1=CC=C(C=C1)C2=C(C(=O)C2=O)Cl

Isomeric SMILES

CCCCCCC(CCCCCC)CN(CC(CCCCCC)CCCCCC)C1=CC=C(C=C1)C2=C(C(=O)C2=O)Cl

InChI

InChI=1S/C38H62ClNO2/c1-5-9-13-17-21-31(22-18-14-10-6-2)29-40(30-32(23-19-15-11-7-3)24-20-16-12-8-4)34-27-25-33(26-28-34)35-36(39)38(42)37(35)41/h25-28,31-32H,5-24,29-30H2,1-4H3