3-[(3R,4S)-2,2-dimethyl-3-oxidanyl-4-(3-oxidanylidene-3aH-isoindol-2-yl)-3,4-dihydrochromen-6-yl]-4-propan-2-yloxy-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[(3R,4S)-2,2-dimethyl-3-oxidanyl-4-(3-oxidanylidene-3aH-isoindol-2-yl)-3,4-dihydrochromen-6-yl]-4-propan-2-yloxy-cyclobut-3-ene-1,2-dione Openeye Name: 3-[(3R,4S)-3-hydroxy-2,2-dimethyl-4-(3-oxo-3aH-isoindol-2-yl)chroman-6-yl]-4-isopropoxy-cyclobut-3-ene-1,2-dione CAS Name: 3-[(3R,4S)-3-hydroxy-2,2-dimethyl-4-(3-oxo-3aH-isoindol-2-yl)-3,4-dihydro-2H-1-benzopyran-6-yl]-4-propan-2-yloxycyclobut-3-ene-1,2-dione IUPAC Name: 3-[(3R,4S)-3-hydroxy-2,2-dimethyl-4-(3-oxo-3aH-isoindol-2-yl)-3,4-dihydrochromen-6-yl]-4-propan-2-yloxycyclobut-3-ene-1,2-dione Traditional Name: 3-[(3R,4S)-3-hydroxy-4-(3-keto-3aH-isoindol-2-yl)-2,2-dimethyl-chroman-6-yl]-4-isopropoxy-cyclobut-3-ene-1,2-quinone Formula: C26H25NO6 MolecularWeight: 447.4798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=O)C1=O)C2=CC3=C(C=C2)OC(C(C3N4C=C5C=CC=CC5C4=O)O)(C)C

Isomeric SMILES

CC(C)OC1=C(C(=O)C1=O)C2=CC3=C(C=C2)OC([C@@H]([C@H]3N4C=C5C=CC=CC5C4=O)O)(C)C

InChI

InChI=1S/C26H25NO6/c1-13(2)32-23-19(21(28)22(23)29)14-9-10-18-17(11-14)20(24(30)26(3,4)33-18)27-12-15-7-5-6-8-16(15)25(27)31/h5-13,16,20,24,30H,1-4H3/t16?,20-,24+/m0/s1