5-(3-butylsulfanyl-4-methyl-phenyl)-3-[(4-methyl-3-nitro-phenyl)methyl]oxan-2-one

Systemtic Name: 5-(3-butylsulfanyl-4-methyl-phenyl)-3-[(4-methyl-3-nitro-phenyl)methyl]oxan-2-one Openeye Name: 5-(3-butylsulfanyl-4-methyl-phenyl)-3-[(4-methyl-3-nitro-phenyl)methyl]tetrahydropyran-2-one CAS Name: 5-[3-(butylthio)-4-methylphenyl]-3-[(4-methyl-3-nitrophenyl)methyl]-2-oxanone IUPAC Name: 5-(3-butylsulfanyl-4-methylphenyl)-3-[(4-methyl-3-nitrophenyl)methyl]oxan-2-one Traditional Name: 5-[3-(butylthio)-4-methyl-phenyl]-3-(4-methyl-3-nitro-benzyl)tetrahydropyran-2-one Formula: C24H29NO4S MolecularWeight: 427.55636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=CC(=C1)C2CC(C(=O)OC2)CC3=CC(=C(C=C3)C)[N+](=O)[O-])C

Isomeric SMILES

CCCCSC1=C(C=CC(=C1)C2CC(C(=O)OC2)CC3=CC(=C(C=C3)C)[N+](=O)[O-])C

InChI

InChI=1S/C24H29NO4S/c1-4-5-10-30-23-14-19(9-7-17(23)3)21-13-20(24(26)29-15-21)11-18-8-6-16(2)22(12-18)25(27)28/h6-9,12,14,20-21H,4-5,10-11,13,15H2,1-3H3