6-chloranyl-7-oxidanylidene-2-phenyl-benzo[e]perimidine-10-sulfonic acid

Systemtic Name: 6-chloranyl-7-oxidanylidene-2-phenyl-benzo[e]perimidine-10-sulfonic acid Openeye Name: 6-chloro-7-oxo-2-phenyl-benzo[e]perimidine-10-sulfonic acid CAS Name: 6-chloro-7-oxo-2-phenyl-10-benzo[e]perimidinesulfonic acid IUPAC Name: 6-chloro-7-oxo-2-phenylbenzo[e]perimidine-10-sulfonic acid Traditional Name: 6-chloro-7-keto-2-phenyl-benzo[e]perimidine-10-sulfonic acid Formula: C21H11ClN2O4S MolecularWeight: 422.84104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C4C(=C(C=C3)Cl)C(=O)C5=C(C4=N2)C=C(C=C5)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C4C(=C(C=C3)Cl)C(=O)C5=C(C4=N2)C=C(C=C5)S(=O)(=O)O

InChI

InChI=1S/C21H11ClN2O4S/c22-15-8-9-16-18-17(15)20(25)13-7-6-12(29(26,27)28)10-14(13)19(18)24-21(23-16)11-4-2-1-3-5-11/h1-10H,(H,26,27,28)