2-[3-(2-nitrophenyl)-4-oxidanyl-butyl]thioxanthen-9-one

Systemtic Name: 2-[3-(2-nitrophenyl)-4-oxidanyl-butyl]thioxanthen-9-one Openeye Name: 2-[4-hydroxy-3-(2-nitrophenyl)butyl]thioxanthen-9-one CAS Name: 2-[4-hydroxy-3-(2-nitrophenyl)butyl]-9-thioxanthenone IUPAC Name: 2-[4-hydroxy-3-(2-nitrophenyl)butyl]thioxanthen-9-one Traditional Name: 2-[4-hydroxy-3-(2-nitrophenyl)butyl]thioxanthen-9-one Formula: C23H19NO4S MolecularWeight: 405.46626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)CCC(CO)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)CCC(CO)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H19NO4S/c25-14-16(17-5-1-3-7-20(17)24(27)28)11-9-15-10-12-22-19(13-15)23(26)18-6-2-4-8-21(18)29-22/h1-8,10,12-13,16,25H,9,11,14H2