3-azanyl-3-[3-[bis[4-azanyl-2-oxidanyl-4-(2-sulfoethanoyl)decyl]amino]-2-oxidanyl-propyl]-2-oxidanylidene-nonane-1-sulfonic acid

Systemtic Name: 3-azanyl-3-[3-[bis[4-azanyl-2-oxidanyl-4-(2-sulfoethanoyl)decyl]amino]-2-oxidanyl-propyl]-2-oxidanylidene-nonane-1-sulfonic acid Openeye Name: 3-amino-3-[3-[bis[4-amino-2-hydroxy-4-(2-sulfoacetyl)decyl]amino]-2-hydroxy-propyl]-2-oxo-nonane-1-sulfonic acid CAS Name: 3-amino-3-[3-[bis[4-amino-2-hydroxy-4-(1-oxo-2-sulfoethyl)decyl]amino]-2-hydroxypropyl]-2-oxo-1-nonanesulfonic acid IUPAC Name: 3-amino-3-[3-[bis[4-amino-2-hydroxy-4-(2-sulfoacetyl)decyl]amino]-2-hydroxypropyl]-2-oxononane-1-sulfonic acid Traditional Name: 3-amino-3-[3-[bis[4-amino-2-hydroxy-4-(2-sulfoacetyl)decyl]amino]-2-hydroxy-propyl]-2-keto-nonane-1-sulfonic acid Formula: C36H72N4O15S3 MolecularWeight: 897.16968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC(CN(CC(CC(CCCCCC)(C(=O)CS(=O)(=O)O)N)O)CC(CC(CCCCCC)(C(=O)CS(=O)(=O)O)N)O)O)(C(=O)CS(=O)(=O)O)N

Isomeric SMILES

CCCCCCC(CC(CN(CC(CC(CCCCCC)(C(=O)CS(=O)(=O)O)N)O)CC(CC(CCCCCC)(C(=O)CS(=O)(=O)O)N)O)O)(C(=O)CS(=O)(=O)O)N

InChI

InChI=1S/C36H72N4O15S3/c1-4-7-10-13-16-34(37,31(44)25-56(47,48)49)19-28(41)22-40(23-29(42)20-35(38,17-14-11-8-5-2)32(45)26-57(50,51)52)24-30(43)21-36(39,18-15-12-9-6-3)33(46)27-58(53,54)55/h28-30,41-43H,4-27,37-39H2,1-3H3,(H,47,48,49)(H,50,51,52)(H,53,54,55)