naphthalene-1-carboxylic acid; titanium; 1,2,3-trimethylcyclopenta-1,3-diene

Systemtic Name: naphthalene-1-carboxylic acid; titanium; 1,2,3-trimethylcyclopenta-1,3-diene Openeye Name: naphthalene-1-carboxylic acid; titanium; 1,2,3-trimethylcyclopenta-1,3-diene CAS Name: 1-naphthalenecarboxylic acid; titanium; 1,2,3-trimethylcyclopenta-1,3-diene IUPAC Name: naphthalene-1-carboxylic acid; titanium; 1,2,3-trimethylcyclopenta-1,3-diene Traditional Name: 1-naphthoic acid; titanium; 1,2,3-trimethylcyclopenta-1,3-diene Formula: C41H35O6Ti- MolecularWeight: 671.58

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[C-]C1)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-]C1)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.C8H11.Ti/c3*12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;1-6-4-5-7(2)8(6)3;/h3*1-7H,(H,12,13);4H2,1-3H3;/q;;;-1;