5-[(dodecyldisulfanyl)carbonylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(dodecyldisulfanyl)carbonylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[(dodecyldisulfanyl)carbonylamino]-2-hydroxy-benzoic acid CAS Name: 5-[[(dodecyldisulfanyl)-oxomethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[(dodecyldisulfanyl)carbonylamino]-2-hydroxybenzoic acid Traditional Name: 2-hydroxy-5-[(lauryldisulfanyl)carbonylamino]benzoic acid Formula: C20H31NO4S2 MolecularWeight: 413.59444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSSC(=O)NC1=CC(=C(C=C1)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCSSC(=O)NC1=CC(=C(C=C1)O)C(=O)O

InChI

InChI=1S/C20H31NO4S2/c1-2-3-4-5-6-7-8-9-10-11-14-26-27-20(25)21-16-12-13-18(22)17(15-16)19(23)24/h12-13,15,22H,2-11,14H2,1H3,(H,21,25)(H,23,24)