2-(6-azanylhexanoyloxy)-3-nonanoyl-benzenesulfonic acid

Systemtic Name: 2-(6-azanylhexanoyloxy)-3-nonanoyl-benzenesulfonic acid Openeye Name: 2-(6-aminohexanoyloxy)-3-nonanoyl-benzenesulfonic acid CAS Name: 2-(6-amino-1-oxohexoxy)-3-(1-oxononyl)benzenesulfonic acid IUPAC Name: 2-(6-aminohexanoyloxy)-3-nonanoylbenzenesulfonic acid Traditional Name: 2-(6-aminohexanoyloxy)-3-pelargonyl-besylic acid Formula: C21H33NO6S MolecularWeight: 427.55482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)C1=C(C(=CC=C1)S(=O)(=O)O)OC(=O)CCCCCN

Isomeric SMILES

CCCCCCCCC(=O)C1=C(C(=CC=C1)S(=O)(=O)O)OC(=O)CCCCCN

InChI

InChI=1S/C21H33NO6S/c1-2-3-4-5-6-8-13-18(23)17-12-11-14-19(29(25,26)27)21(17)28-20(24)15-9-7-10-16-22/h11-12,14H,2-10,13,15-16,22H2,1H3,(H,25,26,27)