O3-heptadecyl O1-tetradecyl 5-(4-hydroxyphenyl)sulfanylbenzene-1,3-disulfonate

Systemtic Name: O3-heptadecyl O1-tetradecyl 5-(4-hydroxyphenyl)sulfanylbenzene-1,3-disulfonate Openeye Name: O3-heptadecyl O1-tetradecyl 5-(4-hydroxyphenyl)sulfanylbenzene-1,3-disulfonate CAS Name: 5-[(4-hydroxyphenyl)thio]benzene-1,3-disulfonic acid O3-heptadecyl ester O1-tetradecyl ester IUPAC Name: 3-O-heptadecyl 1-O-tetradecyl 5-(4-hydroxyphenyl)sulfanylbenzene-1,3-disulfonate Traditional Name: 5-[(4-hydroxyphenyl)thio]benzene-1,3-disulfonic acid O3-heptadecyl ester O1-myristyl ester Formula: C43H72O7S3 MolecularWeight: 797.22258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOS(=O)(=O)C1=CC(=CC(=C1)S(=O)(=O)OCCCCCCCCCCCCCC)SC2=CC=C(C=C2)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCOS(=O)(=O)C1=CC(=CC(=C1)S(=O)(=O)OCCCCCCCCCCCCCC)SC2=CC=C(C=C2)O

InChI

InChI=1S/C43H72O7S3/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-35-50-53(47,48)43-37-41(51-40-32-30-39(44)31-33-40)36-42(38-43)52(45,46)49-34-28-26-24-22-20-16-14-12-10-8-6-4-2/h30-33,36-38,44H,3-29,34-35H2,1-2H3