1,6-bis[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]hexa-2,4-diyne-1,6-diol

Systemtic Name: 1,6-bis[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]hexa-2,4-diyne-1,6-diol Openeye Name: 1,6-bis[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]hexa-2,4-diyne-1,6-diol CAS Name: 1,6-bis[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]hexa-2,4-diyne-1,6-diol IUPAC Name: 1,6-bis[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]hexa-2,4-diyne-1,6-diol Traditional Name: 1,6-bis[1-amyl-4-(4-amylcyclohexyl)cyclohexyl]hexa-2,4-diyne-1,6-diol Formula: C50H86O2 MolecularWeight: 719.21664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2CCC(CC2)(CCCCC)C(C#CC#CC(C3(CCC(CC3)C4CCC(CC4)CCCCC)CCCCC)O)O

Isomeric SMILES

CCCCCC1CCC(CC1)C2CCC(CC2)(CCCCC)C(C#CC#CC(C3(CCC(CC3)C4CCC(CC4)CCCCC)CCCCC)O)O

InChI

InChI=1S/C50H86O2/c1-5-9-13-19-41-23-27-43(28-24-41)45-31-37-49(38-32-45,35-17-11-7-3)47(51)21-15-16-22-48(52)50(36-18-12-8-4)39-33-46(34-40-50)44-29-25-42(26-30-44)20-14-10-6-2/h41-48,51-52H,5-14,17-20,23-40H2,1-4H3