diethyl 6-[3,4,5-tris[1,3-bis(ethoxycarbonyl)azulen-6-yl]phenyl]azulene-1,3-dicarboxylate

Systemtic Name: diethyl 6-[3,4,5-tris[1,3-bis(ethoxycarbonyl)azulen-6-yl]phenyl]azulene-1,3-dicarboxylate Openeye Name: diethyl 6-[3,4,5-tris[1,3-bis(ethoxycarbonyl)azulen-6-yl]phenyl]azulene-1,3-dicarboxylate CAS Name: 6-[3,4,5-tris[1,3-bis(ethoxycarbonyl)-6-azulenyl]phenyl]azulene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 6-[3,4,5-tris[1,3-bis(ethoxycarbonyl)azulen-6-yl]phenyl]azulene-1,3-dicarboxylate Traditional Name: 6-[3,4,5-tris(1,3-dicarbethoxyazulen-6-yl)phenyl]azulene-1,3-dicarboxylic acid diethyl ester Formula: C70H62O16 MolecularWeight: 1159.23168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2C1=CC=C(C=C2)C3=CC(=C(C(=C3)C4=CC=C5C(=C(C=C5C(=O)OCC)C(=O)OCC)C=C4)C6=CC=C7C(=C(C=C7C(=O)OCC)C(=O)OCC)C=C6)C8=CC=C9C(=C(C=C9C(=O)OCC)C(=O)OCC)C=C8)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=C2C1=CC=C(C=C2)C3=CC(=C(C(=C3)C4=CC=C5C(=C(C=C5C(=O)OCC)C(=O)OCC)C=C4)C6=CC=C7C(=C(C=C7C(=O)OCC)C(=O)OCC)C=C6)C8=CC=C9C(=C(C=C9C(=O)OCC)C(=O)OCC)C=C8)C(=O)OCC

InChI

InChI=1S/C70H62O16/c1-9-79-63(71)54-35-55(64(72)80-10-2)45-26-18-39(17-25-44(45)54)43-33-52(40-19-27-46-47(28-20-40)57(66(74)82-12-4)36-56(46)65(73)81-11-3)62(42-23-31-50-51(32-24-42)61(70(78)86-16-8)38-60(50)69(77)85-15-7)53(34-43)41-21-29-48-49(30-22-41)59(68(76)84-14-6)37-58(48)67(75)83-13-5/h17-38H,9-16H2,1-8H3