2-[2-nitro-3,3-bis(2-oxidanyl-3-propyl-phenyl)propyl]-6-propyl-phenol

Systemtic Name: 2-[2-nitro-3,3-bis(2-oxidanyl-3-propyl-phenyl)propyl]-6-propyl-phenol Openeye Name: 2-[3,3-bis(2-hydroxy-3-propyl-phenyl)-2-nitro-propyl]-6-propyl-phenol CAS Name: 2-[3,3-bis(2-hydroxy-3-propylphenyl)-2-nitropropyl]-6-propylphenol IUPAC Name: 2-[3,3-bis(2-hydroxy-3-propylphenyl)-2-nitropropyl]-6-propylphenol Traditional Name: 2-[3,3-bis(2-hydroxy-3-propyl-phenyl)-2-nitro-propyl]-6-propyl-phenol Formula: C30H37NO5 MolecularWeight: 491.61848

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC=C1)CC(C(C2=CC=CC(=C2O)CCC)C3=CC=CC(=C3O)CCC)[N+](=O)[O-])O

Isomeric SMILES

CCCC1=C(C(=CC=C1)CC(C(C2=CC=CC(=C2O)CCC)C3=CC=CC(=C3O)CCC)[N+](=O)[O-])O

InChI

InChI=1S/C30H37NO5/c1-4-10-20-13-7-16-23(28(20)32)19-26(31(35)36)27(24-17-8-14-21(11-5-2)29(24)33)25-18-9-15-22(12-6-3)30(25)34/h7-9,13-18,26-27,32-34H,4-6,10-12,19H2,1-3H3