2,7-ditert-butyl-4,5,9,10-tetradeuterio-N-(4-nitrophenyl)sulfanyl-pyren-1-amine

Systemtic Name: 2,7-ditert-butyl-4,5,9,10-tetradeuterio-N-(4-nitrophenyl)sulfanyl-pyren-1-amine Openeye Name: 2,7-ditert-butyl-4,5,9,10-tetradeuterio-N-(4-nitrophenyl)sulfanyl-pyren-1-amine CAS Name: N-(2,7-ditert-butyl-4,5,9,10-tetradeuterio-1-pyrenyl)-4-nitrobenzenesulfenamide IUPAC Name: 2,7-ditert-butyl-4,5,9,10-tetradeuterio-N-(4-nitrophenyl)sulfanylpyren-1-amine Traditional Name: (2,7-ditert-butyl-4,5,9,10-tetradeuterio-pyren-1-yl)-[(4-nitrophenyl)thio]amine Formula: C30H30N2O2S MolecularWeight: 486.661047

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C3C(=C1)C=CC4=CC(=C(C(=C43)C=C2)NSC5=CC=C(C=C5)[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

[2H]C1=C(C2=CC(=C(C3=C2C4=C(C=C(C=C14)C(C)(C)C)C(=C3[2H])[2H])NSC5=CC=C(C=C5)[N+](=O)[O-])C(C)(C)C)[2H]

InChI

InChI=1S/C30H30N2O2S/c1-29(2,3)21-15-18-7-8-20-17-25(30(4,5)6)28(24-14-9-19(16-21)26(18)27(20)24)31-35-23-12-10-22(11-13-23)32(33)34/h7-17,31H,1-6H3/i7D,8D,9D,14D