4-azanyl-4-[3-[bis[4-azanyl-2-oxidanyl-4-(2-oxidanyl-3-sulfo-propyl)dodecyl]amino]-2-oxidanyl-propyl]-2-oxidanyl-dodecane-1-sulfonic acid

Systemtic Name: 4-azanyl-4-[3-[bis[4-azanyl-2-oxidanyl-4-(2-oxidanyl-3-sulfo-propyl)dodecyl]amino]-2-oxidanyl-propyl]-2-oxidanyl-dodecane-1-sulfonic acid Openeye Name: 4-amino-4-[3-[bis[4-amino-2-hydroxy-4-(2-hydroxy-3-sulfo-propyl)dodecyl]amino]-2-hydroxy-propyl]-2-hydroxy-dodecane-1-sulfonic acid CAS Name: 4-amino-4-[3-[bis[4-amino-2-hydroxy-4-(2-hydroxy-3-sulfopropyl)dodecyl]amino]-2-hydroxypropyl]-2-hydroxy-1-dodecanesulfonic acid IUPAC Name: 4-amino-4-[3-[bis[4-amino-2-hydroxy-4-(2-hydroxy-3-sulfopropyl)dodecyl]amino]-2-hydroxypropyl]-2-hydroxydodecane-1-sulfonic acid Traditional Name: 4-amino-4-[3-[bis[4-amino-2-hydroxy-4-(2-hydroxy-3-sulfo-propyl)dodecyl]amino]-2-hydroxy-propyl]-2-hydroxy-dodecane-1-sulfonic acid Formula: C45H96N4O15S3 MolecularWeight: 1029.45654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC(CN(CC(CC(CCCCCCCC)(CC(CS(=O)(=O)O)O)N)O)CC(CC(CCCCCCCC)(CC(CS(=O)(=O)O)O)N)O)O)(CC(CS(=O)(=O)O)O)N

Isomeric SMILES

CCCCCCCCC(CC(CN(CC(CC(CCCCCCCC)(CC(CS(=O)(=O)O)O)N)O)CC(CC(CCCCCCCC)(CC(CS(=O)(=O)O)O)N)O)O)(CC(CS(=O)(=O)O)O)N

InChI

InChI=1S/C45H96N4O15S3/c1-4-7-10-13-16-19-22-43(46,28-40(53)34-65(56,57)58)25-37(50)31-49(32-38(51)26-44(47,23-20-17-14-11-8-5-2)29-41(54)35-66(59,60)61)33-39(52)27-45(48,24-21-18-15-12-9-6-3)30-42(55)36-67(62,63)64/h37-42,50-55H,4-36,46-48H2,1-3H3,(H,56,57,58)(H,59,60,61)(H,62,63,64)