6-[(6-chloranyl-1,3-benzothiazol-2-yl)carbamoylamino]-8-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 6-[(6-chloranyl-1,3-benzothiazol-2-yl)carbamoylamino]-8-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 6-[(6-chloro-1,3-benzothiazol-2-yl)carbamoylamino]-8-hydroxy-naphthalene-2-sulfonic acid CAS Name: 6-[[[(6-chloro-1,3-benzothiazol-2-yl)amino]-oxomethyl]amino]-8-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 6-[(6-chloro-1,3-benzothiazol-2-yl)carbamoylamino]-8-hydroxynaphthalene-2-sulfonic acid Traditional Name: 6-[(6-chloro-1,3-benzothiazol-2-yl)carbamoylamino]-8-hydroxy-naphthalene-2-sulfonic acid Formula: C18H12ClN3O5S2 MolecularWeight: 449.88798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(C=C(C=C21)NC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC2=C(C=C(C=C21)NC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl)O)S(=O)(=O)O

InChI

InChI=1S/C18H12ClN3O5S2/c19-10-2-4-14-16(6-10)28-18(21-14)22-17(24)20-11-5-9-1-3-12(29(25,26)27)8-13(9)15(23)7-11/h1-8,23H,(H,25,26,27)(H2,20,21,22,24)