calcium strontium 4-[(5-chloranyl-4-methyl-2-sulfonato-phenyl)diazenyl]-3-oxidanidyl-naphthalene-2,7-disulfonate

Systemtic Name: calcium strontium 4-[(5-chloranyl-4-methyl-2-sulfonato-phenyl)diazenyl]-3-oxidanidyl-naphthalene-2,7-disulfonate Openeye Name: calcium strontium 4-(5-chloro-4-methyl-2-sulfonato-phenyl)azo-3-oxido-naphthalene-2,7-disulfonate CAS Name: calcium strontium 4-(5-chloro-4-methyl-2-sulfonatophenyl)azo-3-oxidonaphthalene-2,7-disulfonate IUPAC Name: calcium strontium 4-[(5-chloro-4-methyl-2-sulfonatophenyl)diazenyl]-3-oxidonaphthalene-2,7-disulfonate Traditional Name: calcium strontium 4-(5-chloro-4-methyl-2-sulfonato-phenyl)azo-3-oxido-naphthalene-2,7-disulfonate Formula: C17H9CaClN2O10S3Sr MolecularWeight: 660.60676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)N=NC2=C3C=CC(=CC3=CC(=C2[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Ca+2].[Sr+2]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)N=NC2=C3C=CC(=CC3=CC(=C2[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Ca+2].[Sr+2]

InChI

InChI=1S/C17H13ClN2O10S3.Ca.Sr/c1-8-4-14(32(25,26)27)13(7-12(8)18)19-20-16-11-3-2-10(31(22,23)24)5-9(11)6-15(17(16)21)33(28,29)30;;/h2-7,21H,1H3,(H,22,23,24)(H,25,26,27)(H,28,29,30);;/q;2*+2/p-4