[10-oxidanylidene-10-[[2-(5-oxidanylsulfonothioylpentylsulfanyl)phenyl]amino]decyl]phosphonic acid

Systemtic Name: [10-oxidanylidene-10-[[2-(5-oxidanylsulfonothioylpentylsulfanyl)phenyl]amino]decyl]phosphonic acid Openeye Name: [10-[2-(5-hydroxysulfonothioylpentylsulfanyl)anilino]-10-oxo-decyl]phosphonic acid CAS Name: [10-[2-(5-hydroxysulfonothioylpentylthio)anilino]-10-oxodecyl]phosphonic acid IUPAC Name: [10-[2-(5-hydroxysulfonothioylpentylsulfanyl)anilino]-10-oxodecyl]phosphonic acid Traditional Name: [10-[2-(5-hydroxysulfonothioylpentylthio)anilino]-10-keto-decyl]phosphonic acid Formula: C21H36NO6PS3 MolecularWeight: 525.682401

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCP(=O)(O)O)SCCCCCS(=O)(=S)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCP(=O)(O)O)SCCCCCS(=O)(=S)O

InChI

InChI=1S/C21H36NO6PS3/c23-21(15-7-4-2-1-3-5-10-16-29(24,25)26)22-19-13-8-9-14-20(19)31-17-11-6-12-18-32(27,28)30/h8-9,13-14H,1-7,10-12,15-18H2,(H,22,23)(H2,24,25,26)(H,27,28,30)