chromium(2+); 3,5-dicyclohexyl-4-(3,5-dicyclohexyl-4-oxidanyl-phenyl)carbonyloxy-benzoate

Systemtic Name: chromium(2+); 3,5-dicyclohexyl-4-(3,5-dicyclohexyl-4-oxidanyl-phenyl)carbonyloxy-benzoate Openeye Name: chromous 3,5-dicyclohexyl-4-(3,5-dicyclohexyl-4-hydroxy-benzoyl)oxy-benzoate CAS Name: chromium(2+); 3,5-dicyclohexyl-4-[(3,5-dicyclohexyl-4-hydroxyphenyl)-oxomethoxy]benzoate IUPAC Name: chromium(2+); 3,5-dicyclohexyl-4-(3,5-dicyclohexyl-4-hydroxybenzoyl)oxybenzoate Traditional Name: chromous 3,5-dicyclohexyl-4-(3,5-dicyclohexyl-4-hydroxy-benzoyl)oxy-benzoate Formula: C76H98CrO10 MolecularWeight: 1223.58142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC(=CC(=C2O)C3CCCCC3)C(=O)OC4=C(C=C(C=C4C5CCCCC5)C(=O)[O-])C6CCCCC6.C1CCC(CC1)C2=CC(=CC(=C2O)C3CCCCC3)C(=O)OC4=C(C=C(C=C4C5CCCCC5)C(=O)[O-])C6CCCCC6.[Cr+2]

Isomeric SMILES

C1CCC(CC1)C2=CC(=CC(=C2O)C3CCCCC3)C(=O)OC4=C(C=C(C=C4C5CCCCC5)C(=O)[O-])C6CCCCC6.C1CCC(CC1)C2=CC(=CC(=C2O)C3CCCCC3)C(=O)OC4=C(C=C(C=C4C5CCCCC5)C(=O)[O-])C6CCCCC6.[Cr+2]

InChI

InChI=1S/2C38H50O5.Cr/c2*39-35-31(25-13-5-1-6-14-25)23-30(24-32(35)26-15-7-2-8-16-26)38(42)43-36-33(27-17-9-3-10-18-27)21-29(37(40)41)22-34(36)28-19-11-4-12-20-28;/h2*21-28,39H,1-20H2,(H,40,41);/q;;+2/p-2