calcium 2,3,4,5-tetrakis[(E)-prop-1-enyl]phenolate

Systemtic Name: calcium 2,3,4,5-tetrakis[(E)-prop-1-enyl]phenolate Openeye Name: calcium 2,3,4,5-tetrakis[(E)-prop-1-enyl]phenolate CAS Name: calcium 2,3,4,5-tetrakis[(E)-prop-1-enyl]phenolate IUPAC Name: calcium 2,3,4,5-tetrakis[(E)-prop-1-enyl]phenolate Traditional Name: calcium 2,3,4,5-tetrakis[(E)-prop-1-enyl]phenolate Formula: C36H42CaO2 MolecularWeight: 546.79548

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C(=C1C=CC)C=CC)C=CC)[O-].CC=CC1=CC(=C(C(=C1C=CC)C=CC)C=CC)[O-].[Ca+2]

Isomeric SMILES

C/C=C/C1=CC(=C(C(=C1/C=C/C)/C=C/C)/C=C/C)[O-].C/C=C/C1=CC(=C(C(=C1/C=C/C)/C=C/C)/C=C/C)[O-].[Ca+2]

InChI

InChI=1S/2C18H22O.Ca/c2*1-5-9-14-13-18(19)17(12-8-4)16(11-7-3)15(14)10-6-2;/h2*5-13,19H,1-4H3;/q;;+2/p-2/b2*9-5+,10-6+,11-7+,12-8+;