(3aS,4R,7aR)-4-(hydroxymethyl)-5-[(1R,4E)-4-[(2-hydroxyphenyl)methylidene]-1-oxidanyl-hexyl]-6-methyl-2-(3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (3aS,4R,7aR)-4-(hydroxymethyl)-5-[(1R,4E)-4-[(2-hydroxyphenyl)methylidene]-1-oxidanyl-hexyl]-6-methyl-2-(3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[(2-hydroxyphenyl)methylene]hexyl]-4-(hydroxymethyl)-6-methyl-2-(3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[(2-hydroxyphenyl)methylidene]hexyl]-4-(hydroxymethyl)-6-methyl-2-(3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[(2-hydroxyphenyl)methylidene]hexyl]-4-(hydroxymethyl)-6-methyl-2-(3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,4R,7aR)-5-[(E,1R)-4-ethyl-1-hydroxy-5-(2-hydroxyphenyl)pent-4-enyl]-6-methyl-4-methylol-2-(3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C29H32N2O7 MolecularWeight: 520.57358

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CC=CC=C1O)CCC(C2=C(CC3C(C2CO)C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-])C)O

Isomeric SMILES

CC/C(=C\C1=CC=CC=C1O)/CC[C@H](C2=C(C[C@@H]3[C@H]([C@H]2CO)C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-])C)O

InChI

InChI=1S/C29H32N2O7/c1-3-18(14-19-7-4-5-10-24(19)33)11-12-25(34)26-17(2)13-22-27(23(26)16-32)29(36)30(28(22)35)20-8-6-9-21(15-20)31(37)38/h4-10,14-15,22-23,25,27,32-34H,3,11-13,16H2,1-2H3/b18-14+/t22-,23+,25-,27-/m1/s1