4-[4-azanyl-3-[1-(4-sulfophenoxy)carbonyloxyethyl]pentadecan-2-yl]oxycarbonyloxybenzenesulfonic acid

Systemtic Name: 4-[4-azanyl-3-[1-(4-sulfophenoxy)carbonyloxyethyl]pentadecan-2-yl]oxycarbonyloxybenzenesulfonic acid Openeye Name: 4-[3-amino-1-methyl-2-[1-(4-sulfophenoxy)carbonyloxyethyl]tetradecoxy]carbonyloxybenzenesulfonic acid CAS Name: 4-[[4-amino-3-[1-[oxo-(4-sulfophenoxy)methoxy]ethyl]pentadecan-2-yl]oxy-oxomethoxy]benzenesulfonic acid IUPAC Name: 4-[4-amino-3-[1-(4-sulfophenoxy)carbonyloxyethyl]pentadecan-2-yl]oxycarbonyloxybenzenesulfonic acid Traditional Name: 4-[3-amino-1-methyl-2-[1-(4-sulfophenoxy)carbonyloxyethyl]tetradecoxy]carbonyloxybesylic acid Formula: C31H45NO12S2 MolecularWeight: 687.8185

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C(C(C)OC(=O)OC1=CC=C(C=C1)S(=O)(=O)O)C(C)OC(=O)OC2=CC=C(C=C2)S(=O)(=O)O)N

Isomeric SMILES

CCCCCCCCCCCC(C(C(C)OC(=O)OC1=CC=C(C=C1)S(=O)(=O)O)C(C)OC(=O)OC2=CC=C(C=C2)S(=O)(=O)O)N

InChI

InChI=1S/C31H45NO12S2/c1-4-5-6-7-8-9-10-11-12-13-28(32)29(22(2)41-30(33)43-24-14-18-26(19-15-24)45(35,36)37)23(3)42-31(34)44-25-16-20-27(21-17-25)46(38,39)40/h14-23,28-29H,4-13,32H2,1-3H3,(H,35,36,37)(H,38,39,40)