8-diethoxyphosphoryl-5,11-bis[(2-nitrophenyl)sulfonyl]-1-thia-5,8,11-triazacyclotetradecane

Systemtic Name: 8-diethoxyphosphoryl-5,11-bis[(2-nitrophenyl)sulfonyl]-1-thia-5,8,11-triazacyclotetradecane Openeye Name: 8-diethoxyphosphoryl-5,11-bis[(2-nitrophenyl)sulfonyl]-1-thia-5,8,11-triazacyclotetradecane CAS Name: 8-diethoxyphosphoryl-5,11-bis[(2-nitrophenyl)sulfonyl]-1-thia-5,8,11-triazacyclotetradecane IUPAC Name: 8-diethoxyphosphoryl-5,11-bis[(2-nitrophenyl)sulfonyl]-1-thia-5,8,11-triazacyclotetradecane Traditional Name: 8-diethoxyphosphoryl-5,11-bis[(2-nitrophenyl)sulfonyl]-1-thia-5,8,11-triazacyclotetradecane Formula: C26H38N5O11PS3 MolecularWeight: 723.775581

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(N1CCN(CCCSCCCN(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(CCCSCCCN(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/C26H38N5O11PS3/c1-3-41-43(36,42-4-2)27-17-19-28(45(37,38)25-13-7-5-11-23(25)30(32)33)15-9-21-44-22-10-16-29(20-18-27)46(39,40)26-14-8-6-12-24(26)31(34)35/h5-8,11-14H,3-4,9-10,15-22H2,1-2H3