4-diethoxyphosphoryl-1,7-bis[(2-nitrophenyl)sulfonyl]-1,4,7-triazacyclotetradecane

Systemtic Name: 4-diethoxyphosphoryl-1,7-bis[(2-nitrophenyl)sulfonyl]-1,4,7-triazacyclotetradecane Openeye Name: 4-diethoxyphosphoryl-1,7-bis[(2-nitrophenyl)sulfonyl]-1,4,7-triazacyclotetradecane CAS Name: 4-diethoxyphosphoryl-1,7-bis[(2-nitrophenyl)sulfonyl]-1,4,7-triazacyclotetradecane IUPAC Name: 4-diethoxyphosphoryl-1,7-bis[(2-nitrophenyl)sulfonyl]-1,4,7-triazacyclotetradecane Traditional Name: 4-diethoxyphosphoryl-1,7-bis[(2-nitrophenyl)sulfonyl]-1,4,7-triazacyclotetradecane Formula: C27H40N5O11PS2 MolecularWeight: 705.737161

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(N1CCN(CCCCCCCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OCC

Isomeric SMILES

CCOP(=O)(N1CCN(CCCCCCCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OCC

InChI

InChI=1S/C27H40N5O11PS2/c1-3-42-44(37,43-4-2)28-20-22-29(45(38,39)26-16-10-8-14-24(26)31(33)34)18-12-6-5-7-13-19-30(23-21-28)46(40,41)27-17-11-9-15-25(27)32(35)36/h8-11,14-17H,3-7,12-13,18-23H2,1-2H3