distrontium 3-[[3-[(3-nitro-5-sulfonato-phenyl)carbonylamino]-5-sulfonato-phenyl]carbonylamino]-5-sulfonato-benzoate dodecahydrate

Systemtic Name: distrontium 3-[[3-[(3-nitro-5-sulfonato-phenyl)carbonylamino]-5-sulfonato-phenyl]carbonylamino]-5-sulfonato-benzoate dodecahydrate Openeye Name: distrontium 3-[[3-[(3-nitro-5-sulfonato-benzoyl)amino]-5-sulfonato-benzoyl]amino]-5-sulfonato-benzoate dodecahydrate CAS Name: distrontium 3-[[[3-[[(3-nitro-5-sulfonatophenyl)-oxomethyl]amino]-5-sulfonatophenyl]-oxomethyl]amino]-5-sulfonatobenzoate dodecahydrate IUPAC Name: distrontium 3-[[3-[(3-nitro-5-sulfonatobenzoyl)amino]-5-sulfonatobenzoyl]amino]-5-sulfonatobenzoate dodecahydrate Traditional Name: distrontium 3-[[3-[(3-nitro-5-sulfonato-benzoyl)amino]-5-sulfonato-benzoyl]amino]-5-sulfonato-benzoate dodecahydrate Formula: C21H35N3O27S3Sr2 MolecularWeight: 1032.9415

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1NC(=O)C2=CC(=CC(=C2)S(=O)(=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-])C(=O)NC3=CC(=CC(=C3)C(=O)[O-])S(=O)(=O)[O-].O.O.O.O.O.O.O.O.O.O.O.O.[Sr+2].[Sr+2]

Isomeric SMILES

C1=C(C=C(C=C1NC(=O)C2=CC(=CC(=C2)S(=O)(=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-])C(=O)NC3=CC(=CC(=C3)C(=O)[O-])S(=O)(=O)[O-].O.O.O.O.O.O.O.O.O.O.O.O.[Sr+2].[Sr+2]

InChI

InChI=1S/C21H15N3O15S3.12H2O.2Sr/c25-19(23-14-2-12(21(27)28)6-17(8-14)41(34,35)36)10-1-13(7-16(4-10)40(31,32)33)22-20(26)11-3-15(24(29)30)9-18(5-11)42(37,38)39;;;;;;;;;;;;;;/h1-9H,(H,22,26)(H,23,25)(H,27,28)(H,31,32,33)(H,34,35,36)(H,37,38,39);12*1H2;;/q;;;;;;;;;;;;;2*+2/p-4