butane; phenyl 2-oxidanylbenzoate; titanium(4+)

Systemtic Name: butane; phenyl 2-oxidanylbenzoate; titanium(4+) Openeye Name: butane; phenyl 2-hydroxybenzoate; titanium(4+) CAS Name: butane; 2-hydroxybenzoic acid phenyl ester; titanium(4+) IUPAC Name: butane; phenyl 2-hydroxybenzoate; titanium(4+) Traditional Name: butane; 2-hydroxybenzoic acid phenyl ester; titanium(4+) Formula: C29H46O3Ti MolecularWeight: 490.54074

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Descriptors Computed from Structure

Canonical SMILES:

CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O.[Ti+4]

Isomeric SMILES

CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O.[Ti+4]

InChI

InChI=1S/C13H10O3.4C4H9.Ti/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10;4*1-3-4-2;/h1-9,14H;4*1,3-4H2,2H3;/q;4*-1;+4