cyclopenta-1,3-diene; naphthalene-1-carboxylic acid; titanium

Systemtic Name: cyclopenta-1,3-diene; naphthalene-1-carboxylic acid; titanium Openeye Name: cyclopenta-1,3-diene; naphthalene-1-carboxylic acid; titanium CAS Name: cyclopenta-1,3-diene; 1-naphthalenecarboxylic acid; titanium IUPAC Name: cyclopenta-1,3-diene; naphthalene-1-carboxylic acid; titanium Traditional Name: cyclopenta-1,3-diene; 1-naphthoic acid; titanium Formula: C38H29O6Ti- MolecularWeight: 629.50026

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.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

C1C=CC=[C-]1.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.C5H5.Ti/c3*12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;1-2-4-5-3-1;/h3*1-7H,(H,12,13);1-3H,4H2;/q;;;-1;