octane; 2-[4-[2-(sulfinoamino)ethyl]phenyl]ethanoic acid

Systemtic Name: octane; 2-[4-[2-(sulfinoamino)ethyl]phenyl]ethanoic acid Openeye Name: octane; 2-[4-[2-(sulfinoamino)ethyl]phenyl]acetic acid CAS Name: octane; 2-[4-[2-(sulfinoamino)ethyl]phenyl]acetic acid IUPAC Name: octane; 2-[4-[2-(sulfinoamino)ethyl]phenyl]acetic acid Traditional Name: n-octane; 2-[4-[2-(sulfinoamino)ethyl]phenyl]acetic acid Formula: C18H31NO4S MolecularWeight: 357.50804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC.C1=CC(=CC=C1CCNS(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCC.C1=CC(=CC=C1CCNS(=O)O)CC(=O)O

InChI

InChI=1S/C10H13NO4S.C8H18/c12-10(13)7-9-3-1-8(2-4-9)5-6-11-16(14)15;1-3-5-7-8-6-4-2/h1-4,11H,5-7H2,(H,12,13)(H,14,15);3-8H2,1-2H3