cyclopenta-1,3-diene; methanolate; phenol; propan-2-ylidenetitanium; hydrate

Systemtic Name: cyclopenta-1,3-diene; methanolate; phenol; propan-2-ylidenetitanium; hydrate Openeye Name: cyclopenta-1,3-diene; isopropylidenetitanium; methanolate; phenol; hydrate CAS Name: cyclopenta-1,3-diene; methanolate; phenol; propan-2-ylidenetitanium; hydrate IUPAC Name: cyclopenta-1,3-diene; methanolate; phenol; propan-2-ylidenetitanium; hydrate Traditional Name: cyclopenta-1,3-diene; isopropylidenetitanium; methanolate; phenol; hydrate Formula: C30H42O5Ti2-4 MolecularWeight: 578.38548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Ti])C.CC(=[Ti])C.C[O-].C[O-].C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=C(C=C1)O.C1=CC=C(C=C1)O.O

Isomeric SMILES

CC(=[Ti])C.CC(=[Ti])C.C[O-].C[O-].C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=C(C=C1)O.C1=CC=C(C=C1)O.O

InChI

InChI=1S/2C6H6O.2C5H5.2C3H6.2CH3O.H2O.2Ti/c2*7-6-4-2-1-3-5-6;2*1-2-4-5-3-1;2*1-3-2;2*1-2;;;/h2*1-5,7H;2*1-3H,4H2;2*1-2H3;2*1H3;1H2;;/q;;2*-1;;;2*-1;;;