O1-heptadecan-9-yl O4-octyl 2-(trioxidanylsulfanyl)butanedioate

Systemtic Name: O1-heptadecan-9-yl O4-octyl 2-(trioxidanylsulfanyl)butanedioate Openeye Name: O4-octyl O1-(1-octylnonyl) 2-(trioxidanylsulfanyl)butanedioate CAS Name: 2-(trioxidanylthio)butanedioic acid O1-heptadecan-9-yl ester O4-octyl ester IUPAC Name: 1-O-heptadecan-9-yl 4-O-octyl 2-(trioxidanylsulfanyl)butanedioate Traditional Name: 2-(trioxidanylthio)succinic acid O4-octyl ester O1-(1-octylnonyl) ester Formula: C29H56O7S MolecularWeight: 548.81574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCC)OC(=O)C(CC(=O)OCCCCCCCC)SOOO

Isomeric SMILES

CCCCCCCCC(CCCCCCCC)OC(=O)C(CC(=O)OCCCCCCCC)SOOO

InChI

InChI=1S/C29H56O7S/c1-4-7-10-13-16-19-22-26(23-20-17-14-11-8-5-2)34-29(31)27(37-36-35-32)25-28(30)33-24-21-18-15-12-9-6-3/h26-27,32H,4-25H2,1-3H3