(2S,3S,4S,5R,6S)-6-[4-[bis(2-chloroethyl)amino]phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6S)-6-[4-[bis(2-chloroethyl)amino]phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6S)-6-[4-[bis(2-chloroethyl)amino]phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6S)-6-[4-[bis(2-chloroethyl)amino]phenoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6S)-6-[4-[bis(2-chloroethyl)amino]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6S)-6-[4-[bis(2-chloroethyl)amino]phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C16H21Cl2NO7 MolecularWeight: 410.24644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CCCl)CCCl)OC2C(C(C(C(O2)C(=O)O)O)O)O

Isomeric SMILES

C1=CC(=CC=C1N(CCCl)CCCl)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O

InChI

InChI=1S/C16H21Cl2NO7/c17-5-7-19(8-6-18)9-1-3-10(4-2-9)25-16-13(22)11(20)12(21)14(26-16)15(23)24/h1-4,11-14,16,20-22H,5-8H2,(H,23,24)/t11-,12-,13+,14-,16+/m0/s1