4-(2,3,4,5,6-pentapentoxytriphenylen-1-yl)oxyhex-1-en-3-one

Systemtic Name: 4-(2,3,4,5,6-pentapentoxytriphenylen-1-yl)oxyhex-1-en-3-one Openeye Name: 4-(2,3,4,5,6-pentapentoxytriphenylen-1-yl)oxyhex-1-en-3-one CAS Name: 4-[(2,3,4,5,6-pentapentoxy-1-triphenylenyl)oxy]-1-hexen-3-one IUPAC Name: 4-(2,3,4,5,6-pentapentoxytriphenylen-1-yl)oxyhex-1-en-3-one Traditional Name: 4-(2,3,4,5,6-pentaamoxytriphenylen-1-yl)oxyhex-1-en-3-one Formula: C49H70O7 MolecularWeight: 771.0759

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C2=C(C=C1)C3=CC=CC=C3C4=C2C(=C(C(=C4OC(CC)C(=O)C=C)OCCCCC)OCCCCC)OCCCCC)OCCCCC

Isomeric SMILES

CCCCCOC1=C(C2=C(C=C1)C3=CC=CC=C3C4=C2C(=C(C(=C4OC(CC)C(=O)C=C)OCCCCC)OCCCCC)OCCCCC)OCCCCC

InChI

InChI=1S/C49H70O7/c1-8-15-22-31-51-41-30-29-38-36-27-20-21-28-37(36)43-44(42(38)45(41)52-32-23-16-9-2)46(53-33-24-17-10-3)48(54-34-25-18-11-4)49(55-35-26-19-12-5)47(43)56-40(14-7)39(50)13-6/h13,20-21,27-30,40H,6,8-12,14-19,22-26,31-35H2,1-5,7H3