copper; [4-methyl-8-[C-methyl-N-(2-sulfaniumylphenyl)carbonimidoyl]-2-oxidanylidene-chromen-7-yl]oxidanium; hydrate

Systemtic Name: copper; [4-methyl-8-[C-methyl-N-(2-sulfaniumylphenyl)carbonimidoyl]-2-oxidanylidene-chromen-7-yl]oxidanium; hydrate Openeye Name: copper; [4-methyl-8-[C-methyl-N-(2-sulfoniophenyl)carbonimidoyl]-2-oxo-chromen-7-yl]oxonium; hydrate CAS Name: copper; [4-methyl-2-oxo-8-[1-(2-sulfaniumylphenyl)iminoethyl]-1-benzopyran-7-yl]oxonium; hydrate IUPAC Name: copper; [4-methyl-8-[C-methyl-N-(2-sulfaniumylphenyl)carbonimidoyl]-2-oxochromen-7-yl]oxidanium; hydrate Traditional Name: copper; [2-keto-4-methyl-8-[C-methyl-N-(2-sulfoniophenyl)carbonimidoyl]chromen-7-yl]oxonium; hydrate Formula: C18H19CuNO4S+2 MolecularWeight: 408.95876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C(=NC3=CC=CC=C3[SH2+])C)[OH2+].O.[Cu]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C(=NC3=CC=CC=C3[SH2+])C)[OH2+].O.[Cu]

InChI

InChI=1S/C18H15NO3S.Cu.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/p+2