2-[2,6-ditert-butyl-3-methoxy-4-(4-nitrophenyl)phenyl]sulfanylpropanethial

Systemtic Name: 2-[2,6-ditert-butyl-3-methoxy-4-(4-nitrophenyl)phenyl]sulfanylpropanethial Openeye Name: 2-[2,6-ditert-butyl-3-methoxy-4-(4-nitrophenyl)phenyl]sulfanylpropanethial CAS Name: 2-[[2,6-ditert-butyl-3-methoxy-4-(4-nitrophenyl)phenyl]thio]propanethial IUPAC Name: 2-[2,6-ditert-butyl-3-methoxy-4-(4-nitrophenyl)phenyl]sulfanylpropanethial Traditional Name: 2-[[2,6-ditert-butyl-3-methoxy-4-(4-nitrophenyl)phenyl]thio]thiopropionaldehyde Formula: C24H31NO3S2 MolecularWeight: 445.63784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=S)SC1=C(C=C(C(=C1C(C)(C)C)OC)C2=CC=C(C=C2)[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

CC(C=S)SC1=C(C=C(C(=C1C(C)(C)C)OC)C2=CC=C(C=C2)[N+](=O)[O-])C(C)(C)C

InChI

InChI=1S/C24H31NO3S2/c1-15(14-29)30-22-19(23(2,3)4)13-18(21(28-8)20(22)24(5,6)7)16-9-11-17(12-10-16)25(26)27/h9-15H,1-8H3