[6-[(3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-(4-nitrobenzoyl)oxy-2-[(4-nitrobenzoyl)oxymethyl]oxan-4-yl] 4-nitrobenzoate
[CAS# 98103-10-7]

Identification

• Name: [6-[(3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-(4-nitrobenzoyl)oxy-2-[(4-nitrobenzoyl)oxymethyl]oxan-4-yl] 4-nitrobenzoate
• Synonyms: [6-[(3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl)Oxy]-3-(4-Nitrobenzoyl)Oxy-2-[(4-Nitrobenzoyl)Oxymethyl]Tetrahydropyran-4-Yl] 4-Nitrobenzoate; 4-Nitrobenzoic Acid [6-[(3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-2,4-
• Molecular Formula: C₄₈H₃₇N₃O₂₁
• Molecular Weight: 991.83
• CAS Registry Number: 98103-10-7
• SMILES: C1=CC=C(OC)C3=C1C(=O)C2=C(O)C8=C(C(=C2C3=O)O)C(OC6OC(C(OC(=O)C4=CC=C([N+]([O-])=O)C=C4)C(OC(=O)C5=CC=C([N+]([O-])=O)C=C5)C6)COC(=O)C7=CC=C([N+]([O-])=O)C=C7)CC(O)(C8)C(=O)C
• InChI: 1S/C48H37N3O21/c1-22(52)48(60)19-30-37(43(56)39-38(41(30)54)40(53)29-4-3-5-31(67-2)36(29)42(39)55)33(20-48)69-35-18-32(71-46(58)24-8-14-27(15-9-24)50(63)64)44(72-47(59)25-10-16-28(17-11-25)51(65)66)34(70-35)21-68-45(57)23-6-12-26(13-7-23)49(61)62/h3-17,32
• InChIKey: NMJIHFREVIDYJO-UHFFFAOYSA-N

Properties

• Density: 1.654g/cm³ (Cal.)
• Boiling point: 1122.601°C at 760 mmHg (Cal.)
• Flash point: 632.726°C (Cal.)