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9-octoxycarbonylperylene-3-carboxylic acid

9-octoxycarbonylperylene-3-carboxylic acid

Systemtic Name:9-octoxycarbonylperylene-3-carboxylic acid
Openeye Name:9-octoxycarbonylperylene-3-carboxylic acid
CAS Name:9-[octoxy(oxo)methyl]-3-perylenecarboxylic acid
IUPAC Name:9-octoxycarbonylperylene-3-carboxylic acid
Traditional Name:9-octoxycarbonylperylene-3-carboxylic acid
Formula: C30H28O4
MolecularWeight: 452.54092
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C2C3=C4C(=CC=C3)C(=CC=C4C5=C2C1=CC=C5)C(=O)O


Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C2C3=C4C(=CC=C3)C(=CC=C4C5=C2C1=CC=C5)C(=O)O


InChI

InChI=1S/C30H28O4/c1-2-3-4-5-6-7-18-34-30(33)26-17-15-24-19-10-8-12-21-25(29(31)32)16-14-23(27(19)21)20-11-9-13-22(26)28(20)24/h8-17H,2-7,18H2,1H3,(H,31,32)


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