2,4,8-trinitro-1-sulfanyloxy-xanthen-9-one

Systemtic Name: 2,4,8-trinitro-1-sulfanyloxy-xanthen-9-one Openeye Name: 2,4,8-trinitro-1-sulfanyloxy-xanthen-9-one CAS Name: 1-mercaptooxy-2,4,8-trinitro-9-xanthenone IUPAC Name: 2,4,8-trinitro-1-sulfanyloxyxanthen-9-one Traditional Name: 1-mercaptooxy-2,4,8-trinitro-xanthone Formula: C13H5N3O9S MolecularWeight: 379.2585

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)OC3=C(C2=O)C(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])OS)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C2C(=C1)OC3=C(C2=O)C(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])OS)[N+](=O)[O-]

InChI

InChI=1S/C13H5N3O9S/c17-11-9-5(14(18)19)2-1-3-8(9)24-12-6(15(20)21)4-7(16(22)23)13(25-26)10(11)12/h1-4,26H