2-heptyl-6-[2-[4-(4-nonylcyclohexyl)phenyl]ethynyl]naphthalene

Systemtic Name: 2-heptyl-6-[2-[4-(4-nonylcyclohexyl)phenyl]ethynyl]naphthalene Openeye Name: 2-heptyl-6-[2-[4-(4-nonylcyclohexyl)phenyl]ethynyl]naphthalene CAS Name: 2-heptyl-6-[2-[4-(4-nonylcyclohexyl)phenyl]ethynyl]naphthalene IUPAC Name: 2-heptyl-6-[2-[4-(4-nonylcyclohexyl)phenyl]ethynyl]naphthalene Traditional Name: 2-heptyl-6-[2-[4-(4-nonylcyclohexyl)phenyl]ethynyl]naphthalene Formula: C40H54 MolecularWeight: 534.85676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C#CC3=CC4=C(C=C3)C=C(C=C4)CCCCCCC

Isomeric SMILES

CCCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C#CC3=CC4=C(C=C3)C=C(C=C4)CCCCCCC

InChI

InChI=1S/C40H54/c1-3-5-7-9-10-12-13-15-33-19-25-37(26-20-33)38-27-21-34(22-28-38)17-18-36-24-30-39-31-35(23-29-40(39)32-36)16-14-11-8-6-4-2/h21-24,27-33,37H,3-16,19-20,25-26H2,1-2H3