4-[[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]benzenesulfonic acid; sodium

Systemtic Name: 4-[[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]benzenesulfonic acid; sodium Openeye Name: 4-[(3-chloro-1,4-dioxo-2-naphthyl)amino]benzenesulfonic acid; sodium CAS Name: 4-[(3-chloro-1,4-dioxo-2-naphthalenyl)amino]benzenesulfonic acid; sodium IUPAC Name: 4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]benzenesulfonic acid; sodium Traditional Name: 4-[(3-chloro-1,4-diketo-2-naphthyl)amino]besylic acid; sodium Formula: C16H10ClNNaO5S MolecularWeight: 386.76207

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)S(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)S(=O)(=O)O.[Na]

InChI

InChI=1S/C16H10ClNO5S.Na/c17-13-14(16(20)12-4-2-1-3-11(12)15(13)19)18-9-5-7-10(8-6-9)24(21,22)23;/h1-8,18H,(H,21,22,23);