9-[phenyl-(9-phosphanyl-1,17-disulfo-heptadecan-9-yl)amino]-9-phosphanyl-heptadecane-1,17-disulfonic acid

Systemtic Name: 9-[phenyl-(9-phosphanyl-1,17-disulfo-heptadecan-9-yl)amino]-9-phosphanyl-heptadecane-1,17-disulfonic acid Openeye Name: 9-phosphanyl-9-(N-[1-phosphanyl-9-sulfo-1-(8-sulfooctyl)nonyl]anilino)heptadecane-1,17-disulfonic acid CAS Name: 9-phosphino-9-(N-(9-phosphino-1,17-disulfoheptadecan-9-yl)anilino)heptadecane-1,17-disulfonic acid IUPAC Name: 9-phosphanyl-9-(N-(9-phosphanyl-1,17-disulfoheptadecan-9-yl)anilino)heptadecane-1,17-disulfonic acid Traditional Name: 9-phosphino-9-(N-[1-phosphino-9-sulfo-1-(8-sulfooctyl)nonyl]anilino)heptadecane-1,17-disulfonic acid Formula: C40H77NO12P2S4 MolecularWeight: 954.246402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C(CCCCCCCCS(=O)(=O)O)(CCCCCCCCS(=O)(=O)O)P)C(CCCCCCCCS(=O)(=O)O)(CCCCCCCCS(=O)(=O)O)P

Isomeric SMILES

C1=CC=C(C=C1)N(C(CCCCCCCCS(=O)(=O)O)(CCCCCCCCS(=O)(=O)O)P)C(CCCCCCCCS(=O)(=O)O)(CCCCCCCCS(=O)(=O)O)P

InChI

InChI=1S/C40H77NO12P2S4/c42-56(43,44)34-24-13-5-1-9-20-30-39(54,31-21-10-2-6-14-25-35-57(45,46)47)41(38-28-18-17-19-29-38)40(55,32-22-11-3-7-15-26-36-58(48,49)50)33-23-12-4-8-16-27-37-59(51,52)53/h17-19,28-29H,1-16,20-27,30-37,54-55H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)