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

Systemtic Name: 3,4-bis(oxidanyl)cyclobut-3-ene-1,2-dione; butyl 2-[(1-methyl-7-propan-2-yl-azulen-4-yl)methyl]butanoate Openeye Name: butyl 2-[(7-isopropyl-1-methyl-azulen-4-yl)methyl]butanoate; 3,4-dihydroxycyclobut-3-ene-1,2-dione CAS Name: 3,4-dihydroxycyclobut-3-ene-1,2-dione; 2-[(1-methyl-7-propan-2-yl-4-azulenyl)methyl]butanoic acid butyl ester IUPAC Name: butyl 2-[(1-methyl-7-propan-2-ylazulen-4-yl)methyl]butanoate; 3,4-dihydroxycyclobut-3-ene-1,2-dione Traditional Name: 3,4-dihydroxycyclobut-3-ene-1,2-quinone; 2-[(7-isopropyl-1-methyl-azulen-4-yl)methyl]butyric acid butyl ester Formula: C50H66O8 MolecularWeight: 795.05424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CC)CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C.CCCCOC(=O)C(CC)CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C.C1(=C(C(=O)C1=O)O)O

Isomeric SMILES

CCCCOC(=O)C(CC)CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C.CCCCOC(=O)C(CC)CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C.C1(=C(C(=O)C1=O)O)O

InChI

InChI=1S/2C23H32O2.C4H2O4/c2*1-6-8-13-25-23(24)18(7-2)14-20-11-10-19(16(3)4)15-22-17(5)9-12-21(20)22;5-1-2(6)4(8)3(1)7/h2*9-12,15-16,18H,6-8,13-14H2,1-5H3;5-6H