1,3-dimethyl-1,2,4,5,6,7-hexahydroinden-2-ide; naphthalene-1-carboxylic acid; titanium

Systemtic Name: 1,3-dimethyl-1,2,4,5,6,7-hexahydroinden-2-ide; naphthalene-1-carboxylic acid; titanium Openeye Name: 1,3-dimethyl-1,2,4,5,6,7-hexahydroinden-2-ide; naphthalene-1-carboxylic acid; titanium CAS Name: 1,3-dimethyl-1,2,4,5,6,7-hexahydroinden-2-ide; 1-naphthalenecarboxylic acid; titanium IUPAC Name: 1,3-dimethyl-1,2,4,5,6,7-hexahydroinden-2-ide; naphthalene-1-carboxylic acid; titanium Traditional Name: 1,3-dimethyl-1,2,4,5,6,7-hexahydroinden-2-ide; 1-naphthoic acid; titanium Formula: C44H39O6Ti- MolecularWeight: 711.64386

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Descriptors Computed from Structure

Canonical SMILES:

CC1[C-]=C(C2=C1CCCC2)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(C2=C1CCCC2)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.C11H15.Ti/c3*12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;1-8-7-9(2)11-6-4-3-5-10(8)11;/h3*1-7H,(H,12,13);8H,3-6H2,1-2H3;/q;;;-1;