5-Methoxy-2,3,3-trimethyl-1-(4-sulfobutyl)-indolium inner salt

Catalog Number

ACM54136275-1

CAS

54136-27-5

Structure

Synonyms

4-(5-Methoxy-2,3,3-trimethyl-3H-indol-1-ium-1-yl)butane-1-sulfote

IUPAC Name

4-(5-methoxy-2,3,3-trimethylindol-1-ium-1-yl)butane-1-sulfonate

Molecular Weight

325.42

Molecular Formula

C16H23NO4S

Canonical SMILES

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)OC)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C16H23NO4S/c1-12-16(2,3)14-11-13(21-4)7-8-15(14)17(12)9-5-6-10-22(18,19)20/h7-8,11H,5-6,9-10H2,1-4H3

InChI Key

PVYCRNUCAJPUFN-UHFFFAOYSA-N

Melting Point

242 - 245 °C

Purity

95%+

Appearance

Solid

Storage

Stored at -20 °C

• Catalog Number: ACM54136275-1
• CAS: 54136-27-5
• Synonyms: 4-(5-Methoxy-2,3,3-trimethyl-3H-indol-1-ium-1-yl)butane-1-sulfote
• IUPAC Name: 4-(5-methoxy-2,3,3-trimethylindol-1-ium-1-yl)butane-1-sulfonate
• Molecular Weight: 325.42
• Molecular Formula: C16H23NO4S
• Canonical SMILES: CC1=[N+](C2=C(C1(C)C)C=C(C=C2)OC)CCCCS(=O)(=O)[O-]
• InChI: InChI=1S/C16H23NO4S/c1-12-16(2,3)14-11-13(21-4)7-8-15(14)17(12)9-5-6-10-22(18,19)20/h7-8,11H,5-6,9-10H2,1-4H3
• InChI Key: PVYCRNUCAJPUFN-UHFFFAOYSA-N
• Melting Point: 242 - 245 °C
• Purity: 95%+
• Appearance: Solid
• Storage: Stored at -20 °C