S-(anthracen-9-ylmethyl) 3,5-dinitrobenzenecarbothioate

Systemtic Name: S-(anthracen-9-ylmethyl) 3,5-dinitrobenzenecarbothioate Openeye Name: S-(9-anthrylmethyl) 3,5-dinitrobenzenecarbothioate CAS Name: 3,5-dinitrobenzenecarbothioic acid S-(9-anthracenylmethyl) ester IUPAC Name: S-(anthracen-9-ylmethyl) 3,5-dinitrobenzenecarbothioate Traditional Name: 3,5-dinitrothiobenzoic acid S-(9-anthrylmethyl) ester Formula: C22H14N2O5S MolecularWeight: 418.42196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CSC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CSC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H14N2O5S/c25-22(16-10-17(23(26)27)12-18(11-16)24(28)29)30-13-21-19-7-3-1-5-14(19)9-15-6-2-4-8-20(15)21/h1-12H,13H2