2-[2-[4-(4-octylcyclohexyl)phenyl]ethynyl]-6-pentoxy-naphthalene

Systemtic Name: 2-[2-[4-(4-octylcyclohexyl)phenyl]ethynyl]-6-pentoxy-naphthalene Openeye Name: 2-[2-[4-(4-octylcyclohexyl)phenyl]ethynyl]-6-pentoxy-naphthalene CAS Name: 2-[2-[4-(4-octylcyclohexyl)phenyl]ethynyl]-6-pentoxynaphthalene IUPAC Name: 2-[2-[4-(4-octylcyclohexyl)phenyl]ethynyl]-6-pentoxynaphthalene Traditional Name: 2-amoxy-6-[2-[4-(4-octylcyclohexyl)phenyl]ethynyl]naphthalene Formula: C37H48O MolecularWeight: 508.77642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C#CC3=CC4=C(C=C3)C=C(C=C4)OCCCCC

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C#CC3=CC4=C(C=C3)C=C(C=C4)OCCCCC

InChI

InChI=1S/C37H48O/c1-3-5-7-8-9-10-12-30-15-20-33(21-16-30)34-22-17-31(18-23-34)13-14-32-19-24-36-29-37(26-25-35(36)28-32)38-27-11-6-4-2/h17-19,22-26,28-30,33H,3-12,15-16,20-21,27H2,1-2H3