4-(6-hexadecoxy-2-oxidanylidene-1,3-benzothiazol-3-yl)butane-1-sulfonic acid

Systemtic Name: 4-(6-hexadecoxy-2-oxidanylidene-1,3-benzothiazol-3-yl)butane-1-sulfonic acid Openeye Name: 4-(6-hexadecoxy-2-oxo-1,3-benzothiazol-3-yl)butane-1-sulfonic acid CAS Name: 4-(6-hexadecoxy-2-oxo-1,3-benzothiazol-3-yl)-1-butanesulfonic acid IUPAC Name: 4-(6-hexadecoxy-2-oxo-1,3-benzothiazol-3-yl)butane-1-sulfonic acid Traditional Name: 4-(6-cetyloxy-2-keto-1,3-benzothiazol-3-yl)butane-1-sulfonic acid Formula: C27H45NO5S2 MolecularWeight: 527.7799

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC2=C(C=C1)N(C(=O)S2)CCCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC2=C(C=C1)N(C(=O)S2)CCCCS(=O)(=O)O

InChI

InChI=1S/C27H45NO5S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21-33-24-18-19-25-26(23-24)34-27(29)28(25)20-15-17-22-35(30,31)32/h18-19,23H,2-17,20-22H2,1H3,(H,30,31,32)