5-butyl-9-hexyl-3-methyl-2-(2H-1,2,3,4-tetrazol-5-yl)-5H-pyrano[3,2-c]chromen-4-one

Systemtic Name: 5-butyl-9-hexyl-3-methyl-2-(2H-1,2,3,4-tetrazol-5-yl)-5H-pyrano[3,2-c]chromen-4-one Openeye Name: 5-butyl-9-hexyl-3-methyl-2-(2H-tetrazol-5-yl)-5H-pyrano[3,2-c]chromen-4-one CAS Name: 5-butyl-9-hexyl-3-methyl-2-(2H-tetrazol-5-yl)-5H-pyrano[3,2-c][1]benzopyran-4-one IUPAC Name: 5-butyl-9-hexyl-3-methyl-2-(2H-tetrazol-5-yl)-5H-pyrano[3,2-c]chromen-4-one Traditional Name: 5-butyl-9-hexyl-3-methyl-2-(2H-tetrazol-5-yl)-5H-pyrano[3,2-c]chromen-4-one Formula: C24H30N4O3 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)OC(C3=C2OC(=C(C3=O)C)C4=NNN=N4)CCCC

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)OC(C3=C2OC(=C(C3=O)C)C4=NNN=N4)CCCC

InChI

InChI=1S/C24H30N4O3/c1-4-6-8-9-10-16-12-13-18-17(14-16)23-20(19(30-18)11-7-5-2)21(29)15(3)22(31-23)24-25-27-28-26-24/h12-14,19H,4-11H2,1-3H3,(H,25,26,27,28)