4-[3,5-dimethyl-2-(10-sulfinodecanoylamino)phenoxy]butane-1-sulfonic acid

Systemtic Name: 4-[3,5-dimethyl-2-(10-sulfinodecanoylamino)phenoxy]butane-1-sulfonic acid Openeye Name: 4-[3,5-dimethyl-2-(10-sulfinodecanoylamino)phenoxy]butane-1-sulfonic acid CAS Name: 4-[3,5-dimethyl-2-[(1-oxo-10-sulfinodecyl)amino]phenoxy]-1-butanesulfonic acid IUPAC Name: 4-[3,5-dimethyl-2-(10-sulfinodecanoylamino)phenoxy]butane-1-sulfonic acid Traditional Name: 4-[3,5-dimethyl-2-(10-sulfinodecanoylamino)phenoxy]butane-1-sulfonic acid Formula: C22H37NO7S2 MolecularWeight: 491.66168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCCCS(=O)(=O)O)NC(=O)CCCCCCCCCS(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCCCS(=O)(=O)O)NC(=O)CCCCCCCCCS(=O)O)C

InChI

InChI=1S/C22H37NO7S2/c1-18-16-19(2)22(20(17-18)30-13-9-11-15-32(27,28)29)23-21(24)12-8-6-4-3-5-7-10-14-31(25)26/h16-17H,3-15H2,1-2H3,(H,23,24)(H,25,26)(H,27,28,29)