3,4-bis(oxidanyl)cyclobut-3-ene-1,2-dione; N-butyl-N-(1-methyl-7-propan-2-yl-azulen-4-yl)propanamide

Systemtic Name: 3,4-bis(oxidanyl)cyclobut-3-ene-1,2-dione; N-butyl-N-(1-methyl-7-propan-2-yl-azulen-4-yl)propanamide Openeye Name: N-butyl-N-(7-isopropyl-1-methyl-azulen-4-yl)propanamide; 3,4-dihydroxycyclobut-3-ene-1,2-dione CAS Name: N-butyl-N-(1-methyl-7-propan-2-yl-4-azulenyl)propanamide; 3,4-dihydroxycyclobut-3-ene-1,2-dione IUPAC Name: N-butyl-N-(1-methyl-7-propan-2-ylazulen-4-yl)propanamide; 3,4-dihydroxycyclobut-3-ene-1,2-dione Traditional Name: N-butyl-N-(7-isopropyl-1-methyl-azulen-4-yl)propionamide; 3,4-dihydroxycyclobut-3-ene-1,2-quinone Formula: C46H60N2O6 MolecularWeight: 736.9784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C2C=CC(=C2C=C(C=C1)C(C)C)C)C(=O)CC.CCCCN(C1=C2C=CC(=C2C=C(C=C1)C(C)C)C)C(=O)CC.C1(=C(C(=O)C1=O)O)O

Isomeric SMILES

CCCCN(C1=C2C=CC(=C2C=C(C=C1)C(C)C)C)C(=O)CC.CCCCN(C1=C2C=CC(=C2C=C(C=C1)C(C)C)C)C(=O)CC.C1(=C(C(=O)C1=O)O)O

InChI

InChI=1S/2C21H29NO.C4H2O4/c2*1-6-8-13-22(21(23)7-2)20-12-10-17(15(3)4)14-19-16(5)9-11-18(19)20;5-1-2(6)4(8)3(1)7/h2*9-12,14-15H,6-8,13H2,1-5H3;5-6H