(6E)-6-(5-dodecyl-3H-1,3-benzoxazol-2-ylidene)-4-octyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-(5-dodecyl-3H-1,3-benzoxazol-2-ylidene)-4-octyl-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-(5-dodecyl-3H-1,3-benzoxazol-2-ylidene)-4-octyl-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-(5-dodecyl-3H-1,3-benzoxazol-2-ylidene)-4-octyl-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-(5-dodecyl-3H-1,3-benzoxazol-2-ylidene)-4-octylcyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-(5-lauryl-3H-1,3-benzoxazol-2-ylidene)-4-octyl-cyclohexa-2,4-dien-1-one Formula: C33H49NO2 MolecularWeight: 491.74766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)CCCCCCCC)N2

Isomeric SMILES

CCCCCCCCCCCCC1=CC2=C(C=C1)O/C(=C/3\C=C(C=CC3=O)CCCCCCCC)/N2

InChI

InChI=1S/C33H49NO2/c1-3-5-7-9-11-12-13-14-16-18-20-28-22-24-32-30(26-28)34-33(36-32)29-25-27(21-23-31(29)35)19-17-15-10-8-6-4-2/h21-26,34H,3-20H2,1-2H3/b33-29+