1,3-benzodioxol-5-yloxidanium; 1-phenylbutane-1,3-dione; titanium(4+)

Systemtic Name: 1,3-benzodioxol-5-yloxidanium; 1-phenylbutane-1,3-dione; titanium(4+) Openeye Name: 1,3-benzodioxol-5-yloxonium; 1-phenylbutane-1,3-dione; titanium(4+) CAS Name: 1,3-benzodioxol-5-yloxonium; 1-phenylbutane-1,3-dione; titanium(4+) IUPAC Name: 1,3-benzodioxol-5-yloxidanium; 1-phenylbutane-1,3-dione; titanium(4+) Traditional Name: 1,3-benzodioxol-5-yloxonium; 1-phenylbutane-1,3-dione; titanium(4+) Formula: C34H32O10Ti+8 MolecularWeight: 648.47888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[CH+]C(=O)C1=CC=CC=C1.CC(=O)[CH+]C(=O)C1=CC=CC=C1.C1OC2=C(O1)C=C(C=C2)[OH2+].C1OC2=C(O1)C=C(C=C2)[OH2+].[Ti+4]

Isomeric SMILES

CC(=O)[CH+]C(=O)C1=CC=CC=C1.CC(=O)[CH+]C(=O)C1=CC=CC=C1.C1OC2=C(O1)C=C(C=C2)[OH2+].C1OC2=C(O1)C=C(C=C2)[OH2+].[Ti+4]

InChI

InChI=1S/2C10H9O2.2C7H6O3.Ti/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;2*8-5-1-2-6-7(3-5)10-4-9-6;/h2*2-7H,1H3;2*1-3,8H,4H2;/q2*+1;;;+4/p+2