3,4,7-trimethyl-1-benzothiophene; 2,4,7-trinitrofluoren-9-one

Systemtic Name: 3,4,7-trimethyl-1-benzothiophene; 2,4,7-trinitrofluoren-9-one Openeye Name: 3,4,7-trimethylbenzothiophene; 2,4,7-trinitrofluoren-9-one CAS Name: 3,4,7-trimethyl-1-benzothiophene; 2,4,7-trinitro-9-fluorenone IUPAC Name: 3,4,7-trimethyl-1-benzothiophene; 2,4,7-trinitrofluoren-9-one Traditional Name: 3,4,7-trimethylbenzothiophene; 2,4,7-trinitrofluoren-9-one Formula: C24H17N3O7S MolecularWeight: 491.47268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CSC2=C(C=C1)C)C.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CSC2=C(C=C1)C)C.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H5N3O7.C11H12S/c17-13-9-3-6(14(18)19)1-2-8(9)12-10(13)4-7(15(20)21)5-11(12)16(22)23;1-7-4-5-8(2)11-10(7)9(3)6-12-11/h1-5H;4-6H,1-3H3