ethyl (2,7,7-tricarboxyoxy-1,3,6,8-tetrahydropyren-2-yl) carbonate

Systemtic Name: ethyl (2,7,7-tricarboxyoxy-1,3,6,8-tetrahydropyren-2-yl) carbonate Openeye Name: ethyl (2,7,7-tricarboxyoxy-1,3,6,8-tetrahydropyren-2-yl) carbonate CAS Name: carbonic acid ethyl (2,7,7-tricarboxyoxy-1,3,6,8-tetrahydropyren-2-yl) ester IUPAC Name: ethyl (2,7,7-tricarboxyoxy-1,3,6,8-tetrahydropyren-2-yl) carbonate Traditional Name: carbonic acid ethyl (2,7,7-tricarboxyoxy-1,3,6,8-tetrahydropyren-2-yl) ester Formula: C22H20O12 MolecularWeight: 476.387

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1(CC2=C3C(=CC=C4C3=C(CC(C4)(OC(=O)O)OC(=O)O)C=C2)C1)OC(=O)O

Isomeric SMILES

CCOC(=O)OC1(CC2=C3C(=CC=C4C3=C(CC(C4)(OC(=O)O)OC(=O)O)C=C2)C1)OC(=O)O

InChI

InChI=1S/C22H20O12/c1-2-30-20(29)34-22(33-19(27)28)9-13-5-3-11-7-21(31-17(23)24,32-18(25)26)8-12-4-6-14(10-22)16(13)15(11)12/h3-6H,2,7-10H2,1H3,(H,23,24)(H,25,26)(H,27,28)