6-[6-[2-dodecoxy-5-(2-methylbutan-2-yl)phenyl]sulfanylhexoxy]-2-oxidanyl-chromen-4-one

Systemtic Name: 6-[6-[2-dodecoxy-5-(2-methylbutan-2-yl)phenyl]sulfanylhexoxy]-2-oxidanyl-chromen-4-one Openeye Name: 6-[6-[5-(1,1-dimethylpropyl)-2-dodecoxy-phenyl]sulfanylhexoxy]-2-hydroxy-chromen-4-one CAS Name: 6-[6-[[2-dodecoxy-5-(2-methylbutan-2-yl)phenyl]thio]hexoxy]-2-hydroxy-1-benzopyran-4-one IUPAC Name: 6-[6-[2-dodecoxy-5-(2-methylbutan-2-yl)phenyl]sulfanylhexoxy]-2-hydroxychromen-4-one Traditional Name: 6-[6-[(5-tert-amyl-2-lauryloxy-phenyl)thio]hexoxy]-2-hydroxy-chromone Formula: C38H56O5S MolecularWeight: 624.91324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CC)SCCCCCCOC2=CC3=C(C=C2)OC(=CC3=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CC)SCCCCCCOC2=CC3=C(C=C2)OC(=CC3=O)O

InChI

InChI=1S/C38H56O5S/c1-5-7-8-9-10-11-12-13-14-18-25-42-35-22-20-30(38(3,4)6-2)27-36(35)44-26-19-16-15-17-24-41-31-21-23-34-32(28-31)33(39)29-37(40)43-34/h20-23,27-29,40H,5-19,24-26H2,1-4H3