6-methoxy-1-(6-methoxy-2-oxidanidyl-naphthalen-1-yl)naphthalen-2-olate; oxygen(2-); phenylmethanolate; titanium(4+)

Systemtic Name: 6-methoxy-1-(6-methoxy-2-oxidanidyl-naphthalen-1-yl)naphthalen-2-olate; oxygen(2-); phenylmethanolate; titanium(4+) Openeye Name: 6-methoxy-1-(6-methoxy-2-oxido-1-naphthyl)naphthalen-2-olate; oxygen(2-); phenylmethanolate; titanium(4+) CAS Name: 6-methoxy-1-(6-methoxy-2-oxido-1-naphthalenyl)-2-naphthalenolate; oxygen(2-); phenylmethanolate; titanium(4+) IUPAC Name: 6-methoxy-1-(6-methoxy-2-oxidonaphthalen-1-yl)naphthalen-2-olate; oxygen(2-); phenylmethanolate; titanium(4+) Traditional Name: 6-methoxy-1-(6-methoxy-2-oxido-1-naphthyl)naphthalen-2-olate; oxygen(2-); phenylmethanolate; titanium(4+) Formula: C58H46O11Ti2 MolecularWeight: 1014.71324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(C=C2)[O-])C3=C(C=CC4=C3C=CC(=C4)OC)[O-].COC1=CC2=C(C=C1)C(=C(C=C2)[O-])C3=C(C=CC4=C3C=CC(=C4)OC)[O-].C1=CC=C(C=C1)C[O-].C1=CC=C(C=C1)C[O-].[O-2].[Ti+4].[Ti+4]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(C=C2)[O-])C3=C(C=CC4=C3C=CC(=C4)OC)[O-].COC1=CC2=C(C=C1)C(=C(C=C2)[O-])C3=C(C=CC4=C3C=CC(=C4)OC)[O-].C1=CC=C(C=C1)C[O-].C1=CC=C(C=C1)C[O-].[O-2].[Ti+4].[Ti+4]

InChI

InChI=1S/2C22H18O4.2C7H7O.O.2Ti/c2*1-25-15-5-7-17-13(11-15)3-9-19(23)21(17)22-18-8-6-16(26-2)12-14(18)4-10-20(22)24;2*8-6-7-4-2-1-3-5-7;;;/h2*3-12,23-24H,1-2H3;2*1-5H,6H2;;;/q;;2*-1;-2;2*+4/p-4