(6S,6aS,9aS)-6,9a-dimethyl-6a-oxidanyl-3'-(4-propan-2-ylphenyl)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)-6,9a-dimethyl-6a-oxidanyl-3'-(4-propan-2-ylphenyl)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-isopropylphenyl)-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-6,9a-dimethyl-3'-(4-propan-2-ylphenyl)spiro[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-6,9a-dimethyl-3'-(4-propan-2-ylphenyl)spiro[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-6,9a-dimethyl-3'-p-cumenyl-spiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-triazole]-2,9-quinone Formula: C24H29N3O4 MolecularWeight: 423.50476

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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)C(C)C

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)C(C)C

InChI

InChI=1S/C24H29N3O4/c1-14(2)16-6-8-17(9-7-16)27-13-23(25-26-27)18-10-5-15(3)24(30)12-11-19(28)22(24,4)20(18)31-21(23)29/h6-9,11-12,14-15,18,20,30H,5,10,13H2,1-4H3/t15-,18?,20?,22-,23?,24+/m0/s1