(chrysen-6-ylamino)methanesulfinic acid; sodium

Systemtic Name: (chrysen-6-ylamino)methanesulfinic acid; sodium Openeye Name: (chrysen-6-ylamino)methanesulfinic acid; sodium CAS Name: (6-chrysenylamino)methanesulfinic acid; sodium IUPAC Name: (chrysen-6-ylamino)methanesulfinic acid; sodium Traditional Name: (chrysen-6-ylamino)methanesulfinic acid; sodium Formula: C19H15NNaO2S MolecularWeight: 344.38267

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)NCS(=O)O.[Na]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)NCS(=O)O.[Na]

InChI

InChI=1S/C19H15NO2S.Na/c21-23(22)12-20-19-11-18-14-6-2-1-5-13(14)9-10-16(18)15-7-3-4-8-17(15)19;/h1-11,20H,12H2,(H,21,22);