4-ethyl-2,2,3,3-tetrakis(oxidanyl)-4-prop-2-enyl-hept-6-enoic acid; oxidanyl(oxidanylidene)titanium

Systemtic Name: 4-ethyl-2,2,3,3-tetrakis(oxidanyl)-4-prop-2-enyl-hept-6-enoic acid; oxidanyl(oxidanylidene)titanium Openeye Name: 4-allyl-4-ethyl-2,2,3,3-tetrahydroxy-hept-6-enoic acid; hydroxy(oxo)titanium CAS Name: 4-ethyl-2,2,3,3-tetrahydroxy-4-prop-2-enyl-6-heptenoic acid; hydroxy(oxo)titanium IUPAC Name: 4-ethyl-2,2,3,3-tetrahydroxy-4-prop-2-enylhept-6-enoic acid; hydroxy(oxo)titanium Traditional Name: 4-allyl-4-ethyl-2,2,3,3-tetrahydroxy-hept-6-enoic acid; hydroxy(keto)titanium Formula: C12H21O8Ti MolecularWeight: 341.15734

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC=C)(CC=C)C(C(C(=O)O)(O)O)(O)O.O[Ti]=O

Isomeric SMILES

CCC(CC=C)(CC=C)C(C(C(=O)O)(O)O)(O)O.O[Ti]=O

InChI

InChI=1S/C12H20O6.H2O.O.Ti/c1-4-7-10(6-3,8-5-2)12(17,18)11(15,16)9(13)14;;;/h4-5,15-18H,1-2,6-8H2,3H3,(H,13,14);1H2;;/q;;;+1/p-1