6-chloranyl-4-nitro-5-oxidanyl-1,3-benzoxathiol-2-one; 1-phenyl-N-(phenylmethyl)methanamine

Systemtic Name: 6-chloranyl-4-nitro-5-oxidanyl-1,3-benzoxathiol-2-one; 1-phenyl-N-(phenylmethyl)methanamine Openeye Name: N-benzyl-1-phenyl-methanamine; 6-chloro-5-hydroxy-4-nitro-1,3-benzoxathiol-2-one CAS Name: 6-chloro-5-hydroxy-4-nitro-1,3-benzoxathiol-2-one; 1-phenyl-N-(phenylmethyl)methanamine IUPAC Name: N-benzyl-1-phenylmethanamine; 6-chloro-5-hydroxy-4-nitro-1,3-benzoxathiol-2-one Traditional Name: 6-chloro-5-hydroxy-4-nitro-1,3-benzoxathiol-2-one; dibenzylamine Formula: C21H17ClN2O5S MolecularWeight: 444.88808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC2=CC=CC=C2.C1=C2C(=C(C(=C1Cl)O)[N+](=O)[O-])SC(=O)O2

Isomeric SMILES

C1=CC=C(C=C1)CNCC2=CC=CC=C2.C1=C2C(=C(C(=C1Cl)O)[N+](=O)[O-])SC(=O)O2

InChI

InChI=1S/C14H15N.C7H2ClNO5S/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;8-2-1-3-6(15-7(11)14-3)4(5(2)10)9(12)13/h1-10,15H,11-12H2;1,10H