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

Systemtic Name: (3aS,4R,7aR)-4-(hydroxymethyl)-5-[(1R,4E)-4-[(3-hydroxyphenyl)methylidene]-1-oxidanyl-heptyl]-2-(3-nitrophenyl)-6-propan-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[(3-hydroxyphenyl)methylene]heptyl]-4-(hydroxymethyl)-6-isopropyl-2-(3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[(3-hydroxyphenyl)methylidene]heptyl]-4-(hydroxymethyl)-2-(3-nitrophenyl)-6-propan-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[(3-hydroxyphenyl)methylidene]heptyl]-4-(hydroxymethyl)-2-(3-nitrophenyl)-6-propan-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,4R,7aR)-5-[(E,1R)-1-hydroxy-5-(3-hydroxyphenyl)-4-propyl-pent-4-enyl]-6-isopropyl-4-methylol-2-(3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C32H38N2O7 MolecularWeight: 562.65332

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=CC1=CC(=CC=C1)O)CCC(C2=C(CC3C(C2CO)C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-])C(C)C)O

Isomeric SMILES

CCC/C(=C\C1=CC(=CC=C1)O)/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(C)C)O

InChI

InChI=1S/C32H38N2O7/c1-4-7-20(14-21-8-5-11-24(36)15-21)12-13-28(37)29-25(19(2)3)17-26-30(27(29)18-35)32(39)33(31(26)38)22-9-6-10-23(16-22)34(40)41/h5-6,8-11,14-16,19,26-28,30,35-37H,4,7,12-13,17-18H2,1-3H3/b20-14+/t26-,27+,28-,30-/m1/s1