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

Systemtic Name: 2-methylcyclopenta-1,3-diene; naphthalene-1-carboxylic acid; titanium Openeye Name: 2-methylcyclopenta-1,3-diene; naphthalene-1-carboxylic acid; titanium CAS Name: 2-methylcyclopenta-1,3-diene; 1-naphthalenecarboxylic acid; titanium IUPAC Name: 2-methylcyclopenta-1,3-diene; naphthalene-1-carboxylic acid; titanium Traditional Name: 2-methylcyclopenta-1,3-diene; 1-naphthoic acid; titanium Formula: C39H31O6Ti- MolecularWeight: 643.52684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]CC=C1.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-]CC=C1.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.C6H7.Ti/c3*12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;1-6-4-2-3-5-6;/h3*1-7H,(H,12,13);2,4H,3H2,1H3;/q;;;-1;