10-[[5-methyl-2-(4-oxidanylsulfonothioylbutoxy)phenyl]amino]-10-oxidanylidene-decane-1-sulfonic acid

Systemtic Name: 10-[[5-methyl-2-(4-oxidanylsulfonothioylbutoxy)phenyl]amino]-10-oxidanylidene-decane-1-sulfonic acid Openeye Name: 10-[2-(4-hydroxysulfonothioylbutoxy)-5-methyl-anilino]-10-oxo-decane-1-sulfonic acid CAS Name: 10-[2-(4-hydroxysulfonothioylbutoxy)-5-methylanilino]-10-oxo-1-decanesulfonic acid IUPAC Name: 10-[2-(4-hydroxysulfonothioylbutoxy)-5-methylanilino]-10-oxodecane-1-sulfonic acid Traditional Name: 10-[2-(4-hydroxysulfonothioylbutoxy)-5-methyl-anilino]-10-keto-decane-1-sulfonic acid Formula: C21H35NO7S3 MolecularWeight: 509.7001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35NO7S3/c1-18-12-13-20(29-14-8-10-16-32(27,28)30)19(17-18)22-21(23)11-7-5-3-2-4-6-9-15-31(24,25)26/h12-13,17H,2-11,14-16H2,1H3,(H,22,23)(H,24,25,26)(H,27,28,30)