2-[3-[5-[4-(4-hydroxyphenyl)hexan-3-yl]-2-oxidanyl-phenyl]propyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[3-[5-[4-(4-hydroxyphenyl)hexan-3-yl]-2-oxidanyl-phenyl]propyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[3-[5-[1-ethyl-2-(4-hydroxyphenyl)butyl]-2-hydroxy-phenyl]propyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[3-[2-hydroxy-5-[4-(4-hydroxyphenyl)hexan-3-yl]phenyl]propyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[3-[2-hydroxy-5-[4-(4-hydroxyphenyl)hexan-3-yl]phenyl]propyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[3-[5-[1-ethyl-2-(4-hydroxyphenyl)butyl]-2-hydroxy-phenyl]propyl]-4-nitro-isoindoline-1,3-quinone Formula: C29H30N2O6 MolecularWeight: 502.5583

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)O)C(CC)C2=CC(=C(C=C2)O)CCCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCC(C1=CC=C(C=C1)O)C(CC)C2=CC(=C(C=C2)O)CCCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H30N2O6/c1-3-22(18-10-13-21(32)14-11-18)23(4-2)19-12-15-26(33)20(17-19)7-6-16-30-28(34)24-8-5-9-25(31(36)37)27(24)29(30)35/h5,8-15,17,22-23,32-33H,3-4,6-7,16H2,1-2H3