[4-[13-(oxan-2-yloxy)tridec-4-ynyl]phenyl]-phenyl-methanone

Systemtic Name: [4-[13-(oxan-2-yloxy)tridec-4-ynyl]phenyl]-phenyl-methanone Openeye Name: phenyl-[4-(13-tetrahydropyran-2-yloxytridec-4-ynyl)phenyl]methanone CAS Name: [4-[13-(2-oxanyloxy)tridec-4-ynyl]phenyl]-phenylmethanone IUPAC Name: [4-[13-(oxan-2-yloxy)tridec-4-ynyl]phenyl]-phenylmethanone Traditional Name: phenyl-[4-(13-tetrahydropyran-2-yloxytridec-4-ynyl)phenyl]methanone Formula: C31H40O3 MolecularWeight: 460.6475

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCCCCCCCCC#CCCCC2=CC=C(C=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCOC(C1)OCCCCCCCCC#CCCCC2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C31H40O3/c32-31(28-18-12-10-13-19-28)29-23-21-27(22-24-29)17-11-8-6-4-2-1-3-5-7-9-15-25-33-30-20-14-16-26-34-30/h10,12-13,18-19,21-24,30H,1-3,5,7-9,11,14-17,20,25-26H2