2-(2-carboxyphenyl)benzoic acid; propan-2-ol; titanium

Systemtic Name: 2-(2-carboxyphenyl)benzoic acid; propan-2-ol; titanium Openeye Name: 2-(2-carboxyphenyl)benzoic acid; propan-2-ol; titanium CAS Name: 2-(2-carboxyphenyl)benzoic acid; 2-propanol; titanium IUPAC Name: 2-(2-carboxyphenyl)benzoic acid; propan-2-ol; titanium Traditional Name: diphenic acid; propan-2-ol; titanium Formula: C20H26O6Ti MolecularWeight: 410.28384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)O.CC(C)O.C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(=O)O.[Ti]

Isomeric SMILES

CC(C)O.CC(C)O.C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(=O)O.[Ti]

InChI

InChI=1S/C14H10O4.2C3H8O.Ti/c15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18;2*1-3(2)4;/h1-8H,(H,15,16)(H,17,18);2*3-4H,1-2H3;