naphthalene-1-carboxylic acid; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium

Systemtic Name: naphthalene-1-carboxylic acid; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium Openeye Name: naphthalene-1-carboxylic acid; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium CAS Name: 1-naphthalenecarboxylic acid; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium IUPAC Name: naphthalene-1-carboxylic acid; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium Traditional Name: 1-naphthoic acid; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium Formula: C42H37O6Ti- MolecularWeight: 685.60658

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Descriptors Computed from Structure

Canonical SMILES:

CC1[C-]=C(C(=C1C)C)C.C1=CC=C2C(=C1)C=CC=C2C(=O)O.C1=CC=C2C(=C1)C=CC=C2C(=O)O.C1=CC=C2C(=C1)C=CC=C2C(=O)O.[Ti]

Isomeric SMILES

CC1[C-]=C(C(=C1C)C)C.C1=CC=C2C(=C1)C=CC=C2C(=O)O.C1=CC=C2C(=C1)C=CC=C2C(=O)O.C1=CC=C2C(=C1)C=CC=C2C(=O)O.[Ti]

InChI

InChI=1S/3C11H8O2.C9H13.Ti/c3*12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;1-6-5-7(2)9(4)8(6)3;/h3*1-7H,(H,12,13);6H,1-4H3;/q;;;-1;