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3,6-disulfonaphthalene-1,8-diolate; 1-phenylbutane-1,3-dione; titanium

3,6-disulfonaphthalene-1,8-diolate; 1-phenylbutane-1,3-dione; titanium

Systemtic Name:3,6-disulfonaphthalene-1,8-diolate; 1-phenylbutane-1,3-dione; titanium
Openeye Name:3,6-disulfonaphthalene-1,8-diolate; 1-phenylbutane-1,3-dione; titanium
CAS Name:3,6-disulfonaphthalene-1,8-diolate; 1-phenylbutane-1,3-dione; titanium
IUPAC Name:3,6-disulfonaphthalene-1,8-diolate; 1-phenylbutane-1,3-dione; titanium
Traditional Name:3,6-disulfonaphthalene-1,8-diolate; 1-phenylbutane-1,3-dione; titanium
Formula: C30H24O12S2Ti-4
MolecularWeight: 688.50136
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)[O-])[O-])S(=O)(=O)O.[Ti]


Isomeric SMILES

CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)[O-])[O-])S(=O)(=O)O.[Ti]


InChI

InChI=1S/C10H8O8S2.2C10H9O2.Ti/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;2*1-8(11)7-10(12)9-5-3-2-4-6-9;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);2*2-7H,1H3;/q;2*-1;/p-2


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