3,5-bis(3-sulfopropylcarbamoyl)benzenesulfonic acid

Systemtic Name: 3,5-bis(3-sulfopropylcarbamoyl)benzenesulfonic acid Openeye Name: 3,5-bis(3-sulfopropylcarbamoyl)benzenesulfonic acid CAS Name: 3,5-bis[oxo-(3-sulfopropylamino)methyl]benzenesulfonic acid IUPAC Name: 3,5-bis(3-sulfopropylcarbamoyl)benzenesulfonic acid Traditional Name: 3,5-bis(3-sulfopropylcarbamoyl)besylic acid Formula: C14H20N2O11S3 MolecularWeight: 488.5104

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)NCCCS(=O)(=O)O)S(=O)(=O)O)C(=O)NCCCS(=O)(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(=O)NCCCS(=O)(=O)O)S(=O)(=O)O)C(=O)NCCCS(=O)(=O)O

InChI

InChI=1S/C14H20N2O11S3/c17-13(15-3-1-5-28(19,20)21)10-7-11(9-12(8-10)30(25,26)27)14(18)16-4-2-6-29(22,23)24/h7-9H,1-6H2,(H,15,17)(H,16,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)