dodecan-1-ol; phenyl 2-oxidanylbenzoate; propane; titanium(4+)

Systemtic Name: dodecan-1-ol; phenyl 2-oxidanylbenzoate; propane; titanium(4+) Openeye Name: dodecan-1-ol; phenyl 2-hydroxybenzoate; propane; titanium(4+) CAS Name: 1-dodecanol; 2-hydroxybenzoic acid phenyl ester; propane; titanium(4+) IUPAC Name: dodecan-1-ol; phenyl 2-hydroxybenzoate; propane; titanium(4+) Traditional Name: dodecan-1-ol; 2-hydroxybenzoic acid phenyl ester; propane; titanium(4+) Formula: C37H64O4Ti MolecularWeight: 620.76866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10O3.C12H26O.4C3H7.Ti/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10;1-2-3-4-5-6-7-8-9-10-11-12-13;4*1-3-2;/h1-9,14H;13H,2-12H2,1H3;4*3H,1-2H3;/q;;4*-1;+4