8-Butyryloxy-pyren-1,3,6-trisulfonic acid

Catalog Number

ACM115787821-2

CAS

115787-82-1

Structure

Synonyms

8-Butyryloxypyrene-1,3,6-trisulfonicacidtrisodiumsalt

IUPAC Name

Trisodium;8-butanoyloxypyrene-1,3,6-trisulfonate

Molecular Weight

594.48

Molecular Formula

C20H133O11S3

Canonical SMILES

CCCC(=O)OC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C20H16O11S3.3Na/c1-2-3-18(21)31-14-8-15(32(22,23)24)11-6-7-13-17(34(28,29)30)9-16(33(25,26)27)12-5-4-10(14)19(11)20(12)13;;;/h4-9H,2-3H2,1H3,(H,22,23,24)(H,25,26,27)(H,28,29,30);;;/q;3*+1/p-3

InChI Key

AXRHQOVIZNDJOE-UHFFFAOYSA-K

Melting Point

240 - 250 °C

Purity

95%+

Appearance

Solid

Storage

Stored at -20 °C

Emission Maximum

510 nm

Excitation Maximum

460 nm

• Catalog Number: ACM115787821-2
• CAS: 115787-82-1
• Synonyms: 8-Butyryloxypyrene-1,3,6-trisulfonicacidtrisodiumsalt
• IUPAC Name: Trisodium;8-butanoyloxypyrene-1,3,6-trisulfonate
• Molecular Weight: 594.48
• Molecular Formula: C20H133O11S3
• Canonical SMILES: CCCC(=O)OC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C20H16O11S3.3Na/c1-2-3-18(21)31-14-8-15(32(22,23)24)11-6-7-13-17(34(28,29)30)9-16(33(25,26)27)12-5-4-10(14)19(11)20(12)13;;;/h4-9H,2-3H2,1H3,(H,22,23,24)(H,25,26,27)(H,28,29,30);;;/q;3*+1/p-3
• InChI Key: AXRHQOVIZNDJOE-UHFFFAOYSA-K
• Melting Point: 240 - 250 °C
• Purity: 95%+
• Appearance: Solid
• Storage: Stored at -20 °C
• Emission Maximum: 510 nm
• Excitation Maximum: 460 nm