(6S,6aS,9aS)-3'-(4-methoxyphenyl)-6,9a-dimethyl-6a-oxidanyl-spiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-1,2,3-triazole]-2,9-dione

Systemtic Name: (6S,6aS,9aS)-3'-(4-methoxyphenyl)-6,9a-dimethyl-6a-oxidanyl-spiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-1,2,3-triazole]-2,9-dione Openeye Name: (6S,6aS,9aS)-6a-hydroxy-3'-(4-methoxyphenyl)-6,9a-dimethyl-spiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-triazole]-2,9-dione CAS Name: (6S,6aS,9aS)-6a-hydroxy-3'-(4-methoxyphenyl)-6,9a-dimethylspiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-triazole]-2,9-dione IUPAC Name: (6S,6aS,9aS)-6a-hydroxy-3'-(4-methoxyphenyl)-6,9a-dimethylspiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-triazole]-2,9-dione Traditional Name: (6S,6aS,9aS)-6a-hydroxy-3'-(4-methoxyphenyl)-6,9a-dimethyl-spiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-triazole]-2,9-quinone Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2C(C3(C1(C=CC3=O)O)C)OC(=O)C24CN(N=N4)C5=CC=C(C=C5)OC

Isomeric SMILES

C[C@H]1CCC2C([C@]3([C@]1(C=CC3=O)O)C)OC(=O)C24CN(N=N4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C22H25N3O5/c1-13-4-9-16-18(20(2)17(26)10-11-22(13,20)28)30-19(27)21(16)12-25(24-23-21)14-5-7-15(29-3)8-6-14/h5-8,10-11,13,16,18,28H,4,9,12H2,1-3H3/t13-,16?,18?,20-,21?,22+/m0/s1