2-isocyanato-5-(4-isocyanato-3-sulfo-phenyl)sulfanyl-benzenesulfonic acid

Systemtic Name: 2-isocyanato-5-(4-isocyanato-3-sulfo-phenyl)sulfanyl-benzenesulfonic acid Openeye Name: 2-isocyanato-5-(4-isocyanato-3-sulfo-phenyl)sulfanyl-benzenesulfonic acid CAS Name: 2-isocyanato-5-[(4-isocyanato-3-sulfophenyl)thio]benzenesulfonic acid IUPAC Name: 2-isocyanato-5-(4-isocyanato-3-sulfophenyl)sulfanylbenzenesulfonic acid Traditional Name: 2-isocyanato-5-[(4-isocyanato-3-sulfo-phenyl)thio]besylic acid Formula: C14H8N2O8S3 MolecularWeight: 428.41692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SC2=CC(=C(C=C2)N=C=O)S(=O)(=O)O)S(=O)(=O)O)N=C=O

Isomeric SMILES

C1=CC(=C(C=C1SC2=CC(=C(C=C2)N=C=O)S(=O)(=O)O)S(=O)(=O)O)N=C=O

InChI

InChI=1S/C14H8N2O8S3/c17-7-15-11-3-1-9(5-13(11)26(19,20)21)25-10-2-4-12(16-8-18)14(6-10)27(22,23)24/h1-6H,(H,19,20,21)(H,22,23,24)