5-[[4-chloranyl-3-[[2-(3,5-dicarboxyphenoxy)-3-(2-octadecoxyphenyl)-3-oxidanylidene-propanoyl]amino]phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[4-chloranyl-3-[[2-(3,5-dicarboxyphenoxy)-3-(2-octadecoxyphenyl)-3-oxidanylidene-propanoyl]amino]phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[4-chloro-3-[[2-(3,5-dicarboxyphenoxy)-3-(2-octadecoxyphenyl)-3-oxo-propanoyl]amino]phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[4-chloro-3-[[2-(3,5-dicarboxyphenoxy)-3-(2-octadecoxyphenyl)-1,3-dioxopropyl]amino]phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[4-chloro-3-[[2-(3,5-dicarboxyphenoxy)-3-(2-octadecoxyphenyl)-3-oxopropanoyl]amino]phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[4-chloro-3-[[2-(3,5-dicarboxyphenoxy)-3-keto-3-(2-stearyloxyphenyl)propanoyl]amino]phenyl]sulfonylamino]isophthalic acid Formula: C49H57ClN2O14S MolecularWeight: 965.49988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)C(C(=O)NC2=C(C=CC(=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)Cl)OC4=CC(=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)C(C(=O)NC2=C(C=CC(=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)Cl)OC4=CC(=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C49H57ClN2O14S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-65-42-21-18-17-20-39(42)43(53)44(66-37-29-34(48(59)60)26-35(30-37)49(61)62)45(54)51-41-31-38(22-23-40(41)50)67(63,64)52-36-27-32(46(55)56)25-33(28-36)47(57)58/h17-18,20-23,25-31,44,52H,2-16,19,24H2,1H3,(H,51,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)