1-(3,4,5,6,7-pentapentoxy-1-propoxy-triphenylen-2-yl)prop-2-en-1-one

Systemtic Name: 1-(3,4,5,6,7-pentapentoxy-1-propoxy-triphenylen-2-yl)prop-2-en-1-one Openeye Name: 1-(3,4,5,6,7-pentapentoxy-1-propoxy-triphenylen-2-yl)prop-2-en-1-one CAS Name: 1-(3,4,5,6,7-pentapentoxy-1-propoxy-2-triphenylenyl)-2-propen-1-one IUPAC Name: 1-(3,4,5,6,7-pentapentoxy-1-propoxytriphenylen-2-yl)prop-2-en-1-one Traditional Name: 1-(3,4,5,6,7-pentaamoxy-1-propoxy-triphenylen-2-yl)prop-2-en-1-one Formula: C49H70O7 MolecularWeight: 771.0759

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(=C2C(=C1)C3=CC=CC=C3C4=C2C(=C(C(=C4OCCC)C(=O)C=C)OCCCCC)OCCCCC)OCCCCC)OCCCCC

Isomeric SMILES

CCCCCOC1=C(C(=C2C(=C1)C3=CC=CC=C3C4=C2C(=C(C(=C4OCCC)C(=O)C=C)OCCCCC)OCCCCC)OCCCCC)OCCCCC

InChI

InChI=1S/C49H70O7/c1-8-15-22-30-51-40-35-38-36-27-20-21-28-37(36)41-44(42(38)47(54-32-24-17-10-3)45(40)53-31-23-16-9-2)49(56-34-26-19-12-5)48(55-33-25-18-11-4)43(39(50)14-7)46(41)52-29-13-6/h14,20-21,27-28,35H,7-13,15-19,22-26,29-34H2,1-6H3