(2,3,4,6-tetraethyl-3-nitro-5-phosphono-2H-naphthalen-1-yl)phosphonic acid

Systemtic Name: (2,3,4,6-tetraethyl-3-nitro-5-phosphono-2H-naphthalen-1-yl)phosphonic acid Openeye Name: (2,3,4,6-tetraethyl-3-nitro-5-phosphono-2H-naphthalen-1-yl)phosphonic acid CAS Name: (2,3,4,6-tetraethyl-3-nitro-5-phosphono-2H-naphthalen-1-yl)phosphonic acid IUPAC Name: (2,3,4,6-tetraethyl-3-nitro-5-phosphono-2H-naphthalen-1-yl)phosphonic acid Traditional Name: (2,3,4,6-tetraethyl-3-nitro-5-phosphono-2H-naphthalen-1-yl)phosphonic acid Formula: C18H27NO8P2 MolecularWeight: 447.356402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C2C=CC(=C(C2=C(C1(CC)[N+](=O)[O-])CC)P(=O)(O)O)CC)P(=O)(O)O

Isomeric SMILES

CCC1C(=C2C=CC(=C(C2=C(C1(CC)[N+](=O)[O-])CC)P(=O)(O)O)CC)P(=O)(O)O

InChI

InChI=1S/C18H27NO8P2/c1-5-11-9-10-12-15(16(11)28(22,23)24)13(6-2)18(8-4,19(20)21)14(7-3)17(12)29(25,26)27/h9-10,14H,5-8H2,1-4H3,(H2,22,23,24)(H2,25,26,27)