O3-heptadecyl O1-tetradecyl 5-[(4-hydroxyphenyl)carbamoyl]benzene-1,3-disulfonate

Systemtic Name: O3-heptadecyl O1-tetradecyl 5-[(4-hydroxyphenyl)carbamoyl]benzene-1,3-disulfonate Openeye Name: O3-heptadecyl O1-tetradecyl 5-[(4-hydroxyphenyl)carbamoyl]benzene-1,3-disulfonate CAS Name: 5-[(4-hydroxyanilino)-oxomethyl]benzene-1,3-disulfonic acid O3-heptadecyl ester O1-tetradecyl ester IUPAC Name: 3-O-heptadecyl 1-O-tetradecyl 5-[(4-hydroxyphenyl)carbamoyl]benzene-1,3-disulfonate Traditional Name: 5-[(4-hydroxyphenyl)carbamoyl]benzene-1,3-disulfonic acid O3-heptadecyl ester O1-myristyl ester Formula: C44H73NO8S2 MolecularWeight: 808.18232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOS(=O)(=O)C1=CC(=CC(=C1)S(=O)(=O)OCCCCCCCCCCCCCC)C(=O)NC2=CC=C(C=C2)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCOS(=O)(=O)C1=CC(=CC(=C1)S(=O)(=O)OCCCCCCCCCCCCCC)C(=O)NC2=CC=C(C=C2)O

InChI

InChI=1S/C44H73NO8S2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-35-53-55(50,51)43-37-39(44(47)45-40-30-32-41(46)33-31-40)36-42(38-43)54(48,49)52-34-28-26-24-22-20-16-14-12-10-8-6-4-2/h30-33,36-38,46H,3-29,34-35H2,1-2H3,(H,45,47)