4-iodyl-5-(octadecanoylcarbamoyl)benzene-1,3-disulfonic acid

Systemtic Name: 4-iodyl-5-(octadecanoylcarbamoyl)benzene-1,3-disulfonic acid Openeye Name: 4-iodyl-5-(octadecanoylcarbamoyl)benzene-1,3-disulfonic acid CAS Name: 4-iodyl-5-[oxo-(1-oxooctadecylamino)methyl]benzene-1,3-disulfonic acid IUPAC Name: 4-iodyl-5-(octadecanoylcarbamoyl)benzene-1,3-disulfonic acid Traditional Name: 4-iodyl-5-(stearoylcarbamoyl)benzene-1,3-disulfonic acid Formula: C25H40INO10S2 MolecularWeight: 705.62027

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(=O)C1=CC(=CC(=C1I(=O)=O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(=O)C1=CC(=CC(=C1I(=O)=O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C25H40INO10S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)27-25(29)21-18-20(38(32,33)34)19-22(39(35,36)37)24(21)26(30)31/h18-19H,2-17H2,1H3,(H,27,28,29)(H,32,33,34)(H,35,36,37)