calcium; 1-tert-butyl-4-methanidyl-benzene; oxolane

Systemtic Name: calcium; 1-tert-butyl-4-methanidyl-benzene; oxolane Openeye Name: calcium; 1-tert-butyl-4-methanidyl-benzene; tetrahydrofuran CAS Name: calcium; 1-tert-butyl-4-methanidylbenzene; oxolane IUPAC Name: calcium; 1-tert-butyl-4-methanidylbenzene; oxolane Traditional Name: calcium; 1-tert-butyl-4-methanidyl-benzene; tetrahydrofuran Formula: C38H62CaO4 MolecularWeight: 622.97448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)[CH2-].CC(C)(C)C1=CC=C(C=C1)[CH2-].C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.[Ca+2]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[CH2-].CC(C)(C)C1=CC=C(C=C1)[CH2-].C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.[Ca+2]

InChI

InChI=1S/2C11H15.4C4H8O.Ca/c2*1-9-5-7-10(8-6-9)11(2,3)4;4*1-2-4-5-3-1;/h2*5-8H,1H2,2-4H3;4*1-4H2;/q2*-1;;;;;+2