(Z,1Z)-1-indol-1-ium-3-ylidenebut-2-ene-1,3-diol; titanium

Systemtic Name: (Z,1Z)-1-indol-1-ium-3-ylidenebut-2-ene-1,3-diol; titanium Openeye Name: (Z,1Z)-1-indol-1-ium-3-ylidenebut-2-ene-1,3-diol; titanium CAS Name: (Z,1Z)-1-(3-indol-1-iumylidene)-2-butene-1,3-diol; titanium IUPAC Name: (Z,1Z)-1-indol-1-ium-3-ylidenebut-2-ene-1,3-diol; titanium Traditional Name: (Z,1Z)-1-indol-1-ium-3-ylidenebut-2-ene-1,3-diol; titanium Formula: C24H24N2O4Ti+2 MolecularWeight: 452.32536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=C1C=[NH+]C2=CC=CC=C21)O)O.CC(=CC(=C1C=[NH+]C2=CC=CC=C21)O)O.[Ti]

Isomeric SMILES

C/C(=C/C(=C/1\C2=CC=CC=C2[NH+]=C1)/O)/O.C/C(=C/C(=C/1\C2=CC=CC=C2[NH+]=C1)/O)/O.[Ti]

InChI

InChI=1S/2C12H11NO2.Ti/c2*1-8(14)6-12(15)10-7-13-11-5-3-2-4-9(10)11;/h2*2-7,14-15H,1H3;/p+2/b2*8-6-,12-10+;