5-nitro-2-(phenylmethyl)-3-sulfanyl-benzaldehyde

Systemtic Name: 5-nitro-2-(phenylmethyl)-3-sulfanyl-benzaldehyde Openeye Name: 2-benzyl-5-nitro-3-sulfanyl-benzaldehyde CAS Name: 3-mercapto-5-nitro-2-(phenylmethyl)benzaldehyde IUPAC Name: 2-benzyl-5-nitro-3-sulfanylbenzaldehyde Traditional Name: 2-benzyl-3-mercapto-5-nitro-benzaldehyde Formula: C14H11NO3S MolecularWeight: 273.30704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=C(C=C2C=O)[N+](=O)[O-])S

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=C(C=C2C=O)[N+](=O)[O-])S

InChI

InChI=1S/C14H11NO3S/c16-9-11-7-12(15(17)18)8-14(19)13(11)6-10-4-2-1-3-5-10/h1-5,7-9,19H,6H2