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

Systemtic Name: 4-[4-phosphanyl-3-[1-(4-sulfophenoxy)carbonyloxyethyl]pentadecan-2-yl]oxycarbonyloxybenzenesulfonic acid Openeye Name: 4-[1-methyl-3-phosphanyl-2-[1-(4-sulfophenoxy)carbonyloxyethyl]tetradecoxy]carbonyloxybenzenesulfonic acid CAS Name: 4-[oxo-[3-[1-[oxo-(4-sulfophenoxy)methoxy]ethyl]-4-phosphinopentadecan-2-yl]oxymethoxy]benzenesulfonic acid IUPAC Name: 4-[4-phosphanyl-3-[1-(4-sulfophenoxy)carbonyloxyethyl]pentadecan-2-yl]oxycarbonyloxybenzenesulfonic acid Traditional Name: 4-[1-methyl-3-phosphino-2-[1-(4-sulfophenoxy)carbonyloxyethyl]tetradecoxy]carbonyloxybesylic acid Formula: C31H45O12PS2 MolecularWeight: 704.785561

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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)P

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)P

InChI

InChI=1S/C31H45O12PS2/c1-4-5-6-7-8-9-10-11-12-13-28(44)29(22(2)40-30(32)42-24-14-18-26(19-15-24)45(34,35)36)23(3)41-31(33)43-25-16-20-27(21-17-25)46(37,38)39/h14-23,28-29H,4-13,44H2,1-3H3,(H,34,35,36)(H,37,38,39)