[4-methyl-8-[C-methyl-N-(2-sulfaniumylphenyl)carbonimidoyl]-2-oxidanylidene-chromen-7-yl]oxidanium; nickel(2+); hydroxide

Systemtic Name: [4-methyl-8-[C-methyl-N-(2-sulfaniumylphenyl)carbonimidoyl]-2-oxidanylidene-chromen-7-yl]oxidanium; nickel(2+); hydroxide Openeye Name: nickelous [4-methyl-8-[C-methyl-N-(2-sulfoniophenyl)carbonimidoyl]-2-oxo-chromen-7-yl]oxonium hydroxide CAS Name: [4-methyl-2-oxo-8-[1-(2-sulfaniumylphenyl)iminoethyl]-1-benzopyran-7-yl]oxonium; nickel(2+); hydroxide IUPAC Name: [4-methyl-8-[C-methyl-N-(2-sulfaniumylphenyl)carbonimidoyl]-2-oxochromen-7-yl]oxidanium; nickel(2+); hydroxide Traditional Name: nickelous [2-keto-4-methyl-8-[C-methyl-N-(2-sulfoniophenyl)carbonimidoyl]chromen-7-yl]oxonium hydroxide Formula: C18H18NNiO4S+3 MolecularWeight: 403.09822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C(=NC3=CC=CC=C3[SH2+])C)[OH2+].[OH-].[Ni+2]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C(=NC3=CC=CC=C3[SH2+])C)[OH2+].[OH-].[Ni+2]

InChI

InChI=1S/C18H15NO3S.Ni.H2O/c1-10-9-16(21)22-18-12(10)7-8-14(20)17(18)11(2)19-13-5-3-4-6-15(13)23;;/h3-9,20,23H,1-2H3;;1H2/q;+2;/p+1