(6E)-3-(3-butoxy-2-oxidanyl-propoxy)-4-hexyl-6-(6-phenyl-1H-1,3,5-triazin-2-ylidene)cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-3-(3-butoxy-2-oxidanyl-propoxy)-4-hexyl-6-(6-phenyl-1H-1,3,5-triazin-2-ylidene)cyclohexa-2,4-dien-1-one Openeye Name: (6E)-3-(3-butoxy-2-hydroxy-propoxy)-4-hexyl-6-(6-phenyl-1H-1,3,5-triazin-2-ylidene)cyclohexa-2,4-dien-1-one CAS Name: (6E)-3-(3-butoxy-2-hydroxypropoxy)-4-hexyl-6-(6-phenyl-1H-1,3,5-triazin-2-ylidene)-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-3-(3-butoxy-2-hydroxypropoxy)-4-hexyl-6-(6-phenyl-1H-1,3,5-triazin-2-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: (6E)-3-(3-butoxy-2-hydroxy-propoxy)-4-hexyl-6-(6-phenyl-1H-s-triazin-2-ylidene)cyclohexa-2,4-dien-1-one Formula: C28H37N3O4 MolecularWeight: 479.61108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C2NC(=NC=N2)C3=CC=CC=C3)C(=O)C=C1OCC(COCCCC)O

Isomeric SMILES

CCCCCCC1=C/C(=C\2/NC(=NC=N2)C3=CC=CC=C3)/C(=O)C=C1OCC(COCCCC)O

InChI

InChI=1S/C28H37N3O4/c1-3-5-7-9-14-22-16-24(28-30-20-29-27(31-28)21-12-10-8-11-13-21)25(33)17-26(22)35-19-23(32)18-34-15-6-4-2/h8,10-13,16-17,20,23,32H,3-7,9,14-15,18-19H2,1-2H3,(H,29,30,31)/b28-24-