1,3-benzodioxol-5-yloxidanium; (4-oxidaniumylidene-4-phenyl-butan-2-ylidene)oxidanium; titanium

Systemtic Name: 1,3-benzodioxol-5-yloxidanium; (4-oxidaniumylidene-4-phenyl-butan-2-ylidene)oxidanium; titanium Openeye Name: 1,3-benzodioxol-5-yloxonium; (1-methyl-3-oxoniumylidene-3-phenyl-propylidene)oxonium; titanium CAS Name: 1,3-benzodioxol-5-yloxonium; (4-oxoniumylidene-4-phenylbutan-2-ylidene)oxonium; titanium IUPAC Name: 1,3-benzodioxol-5-yloxidanium; (4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium; titanium Traditional Name: 1,3-benzodioxol-5-yloxonium; (1-methyl-3-oxoniumylidene-3-phenyl-propylidene)oxonium; titanium Formula: C34H36O10Ti+8 MolecularWeight: 652.51064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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;;;/p+6