Merocyanin 540

Catalog Number

ACM62796230-2

CAS

62796-23-0

Structure

Synonyms

2-[4-(1,3-Dibutyl-1,3,4,6-tetrahydro-4,6-dioxo-2-thioxopyrimidin-5(2H)-ylidene)-2-butenylidene]-3(2H)-benzoxazolepropane-1-sulfonicacid sodium salt

IUPAC Name

Sodium;3-[(2Z)-2-[(E)-4-(1,3-dibutyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)but-2-enylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonate

Molecular Weight

569.67

Molecular Formula

C26H32N3O6S2

Canonical SMILES

CCCCN1C(=O)C(=C/C=C/C=C\2/N(C3=CC=CC=C3O2)CCCS(=O)(=O)[O-])C(=O)N(C1=S)CCCC.[Na+]

InChI

InChI=1S/C26H33N3O6S2.Na/c1-3-5-16-28-24(30)20(25(31)29(26(28)36)17-6-4-2)12-7-10-15-23-27(18-11-19-37(32,33)34)21-13-8-9-14-22(21)35-23;/h7-10,12-15H,3-6,11,16-19H2,1-2H3,(H,32,33,34);/q;+1/p-1/b10-7+,23-15-;

InChI Key

OSQUFVVXNRMSHL-LTHRDKTGSA-M

Melting Point

285 °C

Purity

90%+

Appearance

Blue solid

Storage

Stored at -20 °C

Emission Maximum

578 nm

Excitation Maximum

555 nm

• Catalog Number: ACM62796230-2
• CAS: 62796-23-0
• Synonyms: 2-[4-(1,3-Dibutyl-1,3,4,6-tetrahydro-4,6-dioxo-2-thioxopyrimidin-5(2H)-ylidene)-2-butenylidene]-3(2H)-benzoxazolepropane-1-sulfonicacid sodium salt
• IUPAC Name: Sodium;3-[(2Z)-2-[(E)-4-(1,3-dibutyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)but-2-enylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonate
• Molecular Weight: 569.67
• Molecular Formula: C26H32N3O6S2
• Canonical SMILES: CCCCN1C(=O)C(=C/C=C/C=C\2/N(C3=CC=CC=C3O2)CCCS(=O)(=O)[O-])C(=O)N(C1=S)CCCC.[Na+]
• InChI: InChI=1S/C26H33N3O6S2.Na/c1-3-5-16-28-24(30)20(25(31)29(26(28)36)17-6-4-2)12-7-10-15-23-27(18-11-19-37(32,33)34)21-13-8-9-14-22(21)35-23;/h7-10,12-15H,3-6,11,16-19H2,1-2H3,(H,32,33,34);/q;+1/p-1/b10-7+,23-15-
• InChI Key: OSQUFVVXNRMSHL-LTHRDKTGSA-M
• Melting Point: 285 °C
• Purity: 90%+
• Appearance: Blue solid
• Storage: Stored at -20 °C
• Emission Maximum: 578 nm
• Excitation Maximum: 555 nm