2-methylnaphthalene; 2,4,6-trinitrobenzoic acid

Systemtic Name: 2-methylnaphthalene; 2,4,6-trinitrobenzoic acid Openeye Name: 2-methylnaphthalene; 2,4,6-trinitrobenzoic acid CAS Name: 2-methylnaphthalene; 2,4,6-trinitrobenzoic acid IUPAC Name: 2-methylnaphthalene; 2,4,6-trinitrobenzoic acid Traditional Name: 2-methylnaphthalene; 2,4,6-trinitrobenzoic acid Formula: C18H13N3O8 MolecularWeight: 399.31112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C=C1.C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=CC=CC=C2C=C1.C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H10.C7H3N3O8/c1-9-6-7-10-4-2-3-5-11(10)8-9;11-7(12)6-4(9(15)16)1-3(8(13)14)2-5(6)10(17)18/h2-8H,1H3;1-2H,(H,11,12)