naphthalene-1-carboxylic acid; titanium; 1,2,3-trimethyl-4,5,6,7-tetrahydro-1H-inden-4-ide

Systemtic Name: naphthalene-1-carboxylic acid; titanium; 1,2,3-trimethyl-4,5,6,7-tetrahydro-1H-inden-4-ide Openeye Name: naphthalene-1-carboxylic acid; titanium; 1,2,3-trimethyl-4,5,6,7-tetrahydro-1H-inden-4-ide CAS Name: 1-naphthalenecarboxylic acid; titanium; 1,2,3-trimethyl-4,5,6,7-tetrahydro-1H-inden-4-ide IUPAC Name: naphthalene-1-carboxylic acid; titanium; 1,2,3-trimethyl-4,5,6,7-tetrahydro-1H-inden-4-ide Traditional Name: 1-naphthoic acid; titanium; 1,2,3-trimethyl-4,5,6,7-tetrahydro-1H-inden-4-ide Formula: C45H41O6Ti- MolecularWeight: 725.67044

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(C2=C1CCC[CH-]2)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

CC1C(=C(C2=C1CCC[CH-]2)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/C12H17.3C11H8O2.Ti/c1-8-9(2)11-6-4-5-7-12(11)10(8)3;3*12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;/h6,10H,4-5,7H2,1-3H3;3*1-7H,(H,12,13);/q-1;;;;