bis(chloraniumyl)titanium; [1,3-bis(4-methoxyphenyl)-3-oxidaniumylidene-propylidene]oxidanium

Systemtic Name: bis(chloraniumyl)titanium; [1,3-bis(4-methoxyphenyl)-3-oxidaniumylidene-propylidene]oxidanium Openeye Name: [1,3-bis(4-methoxyphenyl)-3-oxoniumylidene-propylidene]oxonium; dichloroniotitanium CAS Name: [1,3-bis(4-methoxyphenyl)-3-oxoniumylidenepropylidene]oxonium; dichloroniotitanium IUPAC Name: [1,3-bis(4-methoxyphenyl)-3-oxoniumylidenepropylidene]oxidanium; dichloroniotitanium Traditional Name: [1,3-bis(4-methoxyphenyl)-3-oxoniumylidene-propylidene]oxonium; dichloroniotitanium Formula: C34H36Cl2O8Ti+8 MolecularWeight: 691.41784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=[OH+])[CH+]C(=[OH+])C2=CC=C(C=C2)OC.COC1=CC=C(C=C1)C(=[OH+])[CH+]C(=[OH+])C2=CC=C(C=C2)OC.[ClH+][Ti][ClH+]

Isomeric SMILES

COC1=CC=C(C=C1)C(=[OH+])[CH+]C(=[OH+])C2=CC=C(C=C2)OC.COC1=CC=C(C=C1)C(=[OH+])[CH+]C(=[OH+])C2=CC=C(C=C2)OC.[ClH+][Ti][ClH+]

InChI

InChI=1S/2C17H15O4.2ClH.Ti/c2*1-20-14-7-3-12(4-8-14)16(18)11-17(19)13-5-9-15(21-2)10-6-13;;;/h2*3-11H,1-2H3;2*1H;/q2*+1;;;+2/p+4