5-nitro-2-sulfanyl-3-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-ylmethyl)benzaldehyde

Systemtic Name: 5-nitro-2-sulfanyl-3-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-ylmethyl)benzaldehyde Openeye Name: 5-nitro-2-sulfanyl-3-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-ylmethyl)benzaldehyde CAS Name: 2-mercapto-5-nitro-3-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-ylmethyl)benzaldehyde IUPAC Name: 5-nitro-2-sulfanyl-3-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-ylmethyl)benzaldehyde Traditional Name: 2-mercapto-5-nitro-3-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-ylmethyl)benzaldehyde Formula: C18H26N2O7S MolecularWeight: 414.47324

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCOCCOCCOCCN1CC2=C(C(=CC(=C2)[N+](=O)[O-])C=O)S

Isomeric SMILES

C1COCCOCCOCCOCCN1CC2=C(C(=CC(=C2)[N+](=O)[O-])C=O)S

InChI

InChI=1S/C18H26N2O7S/c21-14-16-12-17(20(22)23)11-15(18(16)28)13-19-1-3-24-5-7-26-9-10-27-8-6-25-4-2-19/h11-12,14,28H,1-10,13H2