2-methylpentadecane; phenyl 3-oxidanylnaphthalene-2-carboxylate; titanium(2+)

Systemtic Name: 2-methylpentadecane; phenyl 3-oxidanylnaphthalene-2-carboxylate; titanium(2+) Openeye Name: 2-methylpentadecane; phenyl 3-hydroxynaphthalene-2-carboxylate; titanium(2+) CAS Name: 3-hydroxy-2-naphthalenecarboxylic acid phenyl ester; 2-methylpentadecane; titanium(2+) IUPAC Name: 2-methylpentadecane; phenyl 3-hydroxynaphthalene-2-carboxylate; titanium(2+) Traditional Name: 3-hydroxynaphthalene-2-carboxylic acid phenyl ester; 2-methylpentadecane; titanium(2+) Formula: C33H45O3Ti+ MolecularWeight: 537.5756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[CH-]C(C)C.C1=CC=C(C=C1)OC(=O)C2=CC3=CC=CC=C3C=C2O.[Ti+2]

Isomeric SMILES

CCCCCCCCCCCC[CH-]C(C)C.C1=CC=C(C=C1)OC(=O)C2=CC3=CC=CC=C3C=C2O.[Ti+2]

InChI

InChI=1S/C17H12O3.C16H33.Ti/c18-16-11-13-7-5-4-6-12(13)10-15(16)17(19)20-14-8-2-1-3-9-14;1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)3;/h1-11,18H;15-16H,4-14H2,1-3H3;/q;-1;+2