3,4-bis(oxidanyl)cyclobut-3-ene-1,2-dione; 1-ethoxy-N-[3-(1-methyl-7-propan-2-yl-azulen-4-yl)butyl]-1-propoxy-methanimine

Systemtic Name: 3,4-bis(oxidanyl)cyclobut-3-ene-1,2-dione; 1-ethoxy-N-[3-(1-methyl-7-propan-2-yl-azulen-4-yl)butyl]-1-propoxy-methanimine Openeye Name: 3,4-dihydroxycyclobut-3-ene-1,2-dione; 1-ethoxy-N-[3-(7-isopropyl-1-methyl-azulen-4-yl)butyl]-1-propoxy-methanimine CAS Name: 3,4-dihydroxycyclobut-3-ene-1,2-dione; 1-ethoxy-N-[3-(1-methyl-7-propan-2-yl-4-azulenyl)butyl]-1-propoxymethanimine IUPAC Name: 3,4-dihydroxycyclobut-3-ene-1,2-dione; 1-ethoxy-N-[3-(1-methyl-7-propan-2-ylazulen-4-yl)butyl]-1-propoxymethanimine Traditional Name: 3,4-dihydroxycyclobut-3-ene-1,2-quinone; [ethoxy(propoxy)methylene]-[3-(7-isopropyl-1-methyl-azulen-4-yl)butyl]amine Formula: C52H72N2O8 MolecularWeight: 853.13668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=NCCC(C)C1=C2C=CC(=C2C=C(C=C1)C(C)C)C)OCC.CCCOC(=NCCC(C)C1=C2C=CC(=C2C=C(C=C1)C(C)C)C)OCC.C1(=C(C(=O)C1=O)O)O

Isomeric SMILES

CCCOC(=NCCC(C)C1=C2C=CC(=C2C=C(C=C1)C(C)C)C)OCC.CCCOC(=NCCC(C)C1=C2C=CC(=C2C=C(C=C1)C(C)C)C)OCC.C1(=C(C(=O)C1=O)O)O

InChI

InChI=1S/2C24H35NO2.C4H2O4/c2*1-7-15-27-24(26-8-2)25-14-13-19(6)21-12-10-20(17(3)4)16-23-18(5)9-11-22(21)23;5-1-2(6)4(8)3(1)7/h2*9-12,16-17,19H,7-8,13-15H2,1-6H3;5-6H