4-octadecanoyl-5-oxidanyl-benzo[g][1,3]benzoxathiol-2-one

Systemtic Name: 4-octadecanoyl-5-oxidanyl-benzo[g][1,3]benzoxathiol-2-one Openeye Name: 5-hydroxy-4-octadecanoyl-benzo[g][1,3]benzoxathiol-2-one CAS Name: 5-hydroxy-4-(1-oxooctadecyl)-2-benzo[g][1,3]benzoxathiolone IUPAC Name: 5-hydroxy-4-octadecanoylbenzo[g][1,3]benzoxathiol-2-one Traditional Name: 5-hydroxy-4-stearoyl-benzo[g][1,3]benzoxathiol-2-one Formula: C29H40O4S MolecularWeight: 484.6905

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(C2=CC=CC=C2C3=C1SC(=O)O3)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(C2=CC=CC=C2C3=C1SC(=O)O3)O

InChI

InChI=1S/C29H40O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24(30)25-26(31)22-19-17-18-20-23(22)27-28(25)34-29(32)33-27/h17-20,31H,2-16,21H2,1H3