(4E)-2-(3,5-dihexadecoxyphenyl)-4-(sulfanylmethylidene)-1,3-oxazol-5-one

Systemtic Name: (4E)-2-(3,5-dihexadecoxyphenyl)-4-(sulfanylmethylidene)-1,3-oxazol-5-one Openeye Name: (4E)-2-(3,5-dihexadecoxyphenyl)-4-(sulfanylmethylene)oxazol-5-one CAS Name: (4E)-2-(3,5-dihexadecoxyphenyl)-4-(mercaptomethylidene)-5-oxazolone IUPAC Name: (4E)-2-(3,5-dihexadecoxyphenyl)-4-(sulfanylmethylidene)-1,3-oxazol-5-one Traditional Name: (4E)-2-(3,5-dicetyloxyphenyl)-4-(mercaptomethylene)-2-oxazolin-5-one Formula: C42H71NO4S MolecularWeight: 686.08244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C2=NC(=CS)C(=O)O2)OCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C2=N/C(=C/S)/C(=O)O2)OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C42H71NO4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-45-38-33-37(41-43-40(36-48)42(44)47-41)34-39(35-38)46-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-36,48H,3-32H2,1-2H3/b40-36+