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

Systemtic Name: (3aS,4R,7aR)-4,6-bis(hydroxymethyl)-5-[(1R,4E)-4-[(3-hydroxyphenyl)methylidene]-1-oxidanyl-heptyl]-2-(3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[(3-hydroxyphenyl)methylene]heptyl]-4,6-bis(hydroxymethyl)-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]-4,6-bis(hydroxymethyl)-2-(3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[(3-hydroxyphenyl)methylidene]heptyl]-4,6-bis(hydroxymethyl)-2-(3-nitrophenyl)-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]-4,6-dimethylol-2-(3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C30H34N2O8 MolecularWeight: 550.59956

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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-])CO)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-])CO)O

InChI

InChI=1S/C30H34N2O8/c1-2-5-18(12-19-6-3-9-23(35)13-19)10-11-26(36)27-20(16-33)14-24-28(25(27)17-34)30(38)31(29(24)37)21-7-4-8-22(15-21)32(39)40/h3-4,6-9,12-13,15,24-26,28,33-36H,2,5,10-11,14,16-17H2,1H3/b18-12+/t24-,25+,26-,28-/m1/s1