2-[1-benzothiophen-3-yl-(1-oxidanylnaphthalen-2-yl)methyl]naphthalen-1-ol; titanium(2+); dichloride

Systemtic Name: 2-[1-benzothiophen-3-yl-(1-oxidanylnaphthalen-2-yl)methyl]naphthalen-1-ol; titanium(2+); dichloride Openeye Name: 2-[benzothiophen-3-yl-(1-hydroxy-2-naphthyl)methyl]naphthalen-1-ol; titanium(2+); dichloride CAS Name: 2-[1-benzothiophen-3-yl-(1-hydroxy-2-naphthalenyl)methyl]-1-naphthalenol; titanium(2+); dichloride IUPAC Name: 2-[1-benzothiophen-3-yl-(1-hydroxynaphthalen-2-yl)methyl]naphthalen-1-ol; titanium(2+); dichloride Traditional Name: 2-[benzothiophen-3-yl-(1-hydroxy-2-naphthyl)methyl]-1-naphthol; titanium(2+); dichloride Formula: C29H20Cl2O2STi MolecularWeight: 551.3059

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2O)C(C3=C(C4=CC=CC=C4C=C3)O)C5=CSC6=CC=CC=C65.[Cl-].[Cl-].[Ti+2]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2O)C(C3=C(C4=CC=CC=C4C=C3)O)C5=CSC6=CC=CC=C65.[Cl-].[Cl-].[Ti+2]

InChI

InChI=1S/C29H20O2S.2ClH.Ti/c30-28-20-9-3-1-7-18(20)13-15-23(28)27(25-17-32-26-12-6-5-11-22(25)26)24-16-14-19-8-2-4-10-21(19)29(24)31;;;/h1-17,27,30-31H;2*1H;/q;;;+2/p-2