2-[(4-methoxyphenyl)methoxycarbonylamino]-15-methyl-3-oxidanyl-hexadecane-1-sulfonic acid

Systemtic Name: 2-[(4-methoxyphenyl)methoxycarbonylamino]-15-methyl-3-oxidanyl-hexadecane-1-sulfonic acid Openeye Name: 3-hydroxy-2-[(4-methoxyphenyl)methoxycarbonylamino]-15-methyl-hexadecane-1-sulfonic acid CAS Name: 3-hydroxy-2-[[(4-methoxyphenyl)methoxy-oxomethyl]amino]-15-methyl-1-hexadecanesulfonic acid IUPAC Name: 3-hydroxy-2-[(4-methoxyphenyl)methoxycarbonylamino]-15-methylhexadecane-1-sulfonic acid Traditional Name: 3-hydroxy-15-methyl-2-(p-anisyloxycarbonylamino)hexadecane-1-sulfonic acid Formula: C26H45NO7S MolecularWeight: 515.703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC(C(CS(=O)(=O)O)NC(=O)OCC1=CC=C(C=C1)OC)O

Isomeric SMILES

CC(C)CCCCCCCCCCCC(C(CS(=O)(=O)O)NC(=O)OCC1=CC=C(C=C1)OC)O

InChI

InChI=1S/C26H45NO7S/c1-21(2)13-11-9-7-5-4-6-8-10-12-14-25(28)24(20-35(30,31)32)27-26(29)34-19-22-15-17-23(33-3)18-16-22/h15-18,21,24-25,28H,4-14,19-20H2,1-3H3,(H,27,29)(H,30,31,32)