9-butan-2-yloxycarbonylperylene-3-carboxylate

Systemtic Name: 9-butan-2-yloxycarbonylperylene-3-carboxylate Openeye Name: 9-sec-butoxycarbonylperylene-3-carboxylate CAS Name: 9-[butan-2-yloxy(oxo)methyl]-3-perylenecarboxylate IUPAC Name: 9-butan-2-yloxycarbonylperylene-3-carboxylate Traditional Name: 9-sec-butoxycarbonylperylene-3-carboxylate Formula: C26H19O4- MolecularWeight: 395.42666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=CC=C2C3=C4C(=CC=C3)C(=CC=C4C5=C2C1=CC=C5)C(=O)[O-]

Isomeric SMILES

CCC(C)OC(=O)C1=CC=C2C3=C4C(=CC=C3)C(=CC=C4C5=C2C1=CC=C5)C(=O)[O-]

InChI

InChI=1S/C26H20O4/c1-3-14(2)30-26(29)22-13-11-20-15-6-4-8-17-21(25(27)28)12-10-19(23(15)17)16-7-5-9-18(22)24(16)20/h4-14H,3H2,1-2H3,(H,27,28)/p-1