2-Methyl-2-propanyl 23-thia-24-azahexacyclo[10.10.2.0^2,11.0^4,9.0^13,22.0^15,20]tetracosa-2,4(9),5,7,10,13,15(20),16,18,21-decaene-24-carboxylate 23-oxide
[CAS# 794586-44-0]

Identification

• Name: 2-Methyl-2-propanyl 23-thia-24-azahexacyclo[10.10.2.0^2,11.0^4,9.0^13,22.0^15,20]tetracosa-2,4(9),5,7,10,13,15(20),16,18,21-decaene-24-carboxylate 23-oxide
• Synonyms: 13,6- PENTACENE-16-CARBOXYLICACID,6,13-DIHYDRO-,TERTBUTYLESTER,15-OXIDE; 23-Oxyde de -23-thia-24-azahexacyclo[10.10.2.0^2,11.0^4,9.0^13,22.0^15,20]tétracosa-2,4(9),5,7,10,13,15(20),16,18,21-décaène-24-carboxylate de 2-méthyl-2-propanyle; 2-Methyl-2-propanyl 23-thia-24-azahexacyclo[10.10.2.0^2,11.0^4,9.0^13,22.0^15,20]tetracosa-2,4(9),5,7,10,13,15(20),16,18,21-decaene-24-carboxylate 23-oxide
• Molecular Formula: C₂₇H₂₃NO₃S
• Molecular Weight: 441.54
• CAS Registry Number: 794586-44-0
• SMILES: CC(OC(=O)N1S(=O)[C@H]2c3c(cc4c(c3)cccc4)[C@@H]1c5c2cc6c(c5)cccc6)(C)C
• InChI: 1S/C27H23NO3S/c1-27(2,3)31-26(29)28-24-20-12-16-8-4-6-10-18(16)14-22(20)25(32(28)30)23-15-19-11-7-5-9-17(19)13-21(23)24/h4-15,24-25H,1-3H3/t24-,25+,32?
• InChIKey: VQUHUWBRYQBGLV-FCLIONODSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 644.7±65.0°C at 760 mmHg (Cal.)
• Flash point: 343.7±34.3°C (Cal.)
• Refractive index: 1.764 (Cal.)