naphthalene-1-carboxylic acid; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(2+)

Systemtic Name: naphthalene-1-carboxylic acid; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(2+) Openeye Name: naphthalene-1-carboxylic acid; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(2+) CAS Name: 1-naphthalenecarboxylic acid; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(2+) IUPAC Name: naphthalene-1-carboxylic acid; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(2+) Traditional Name: 1-naphthoic acid; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(2+) Formula: C42H46O4Ti MolecularWeight: 662.67924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]C(C(=C1C)C)(C)C.CC1=[C-]C(C(=C1C)C)(C)C.C1=CC=C2C(=C1)C=CC=C2C(=O)O.C1=CC=C2C(=C1)C=CC=C2C(=O)O.[Ti+2]

Isomeric SMILES

CC1=[C-]C(C(=C1C)C)(C)C.CC1=[C-]C(C(=C1C)C)(C)C.C1=CC=C2C(=C1)C=CC=C2C(=O)O.C1=CC=C2C(=C1)C=CC=C2C(=O)O.[Ti+2]

InChI

InChI=1S/2C11H8O2.2C10H15.Ti/c2*12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;2*1-7-6-10(4,5)9(3)8(7)2;/h2*1-7H,(H,12,13);2*1-5H3;/q;;2*-1;+2