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2-(3-azanyl-6-azanylidene-xanthen-9-yl)-6-pentyl-benzoic acid

2-(3-azanyl-6-azanylidene-xanthen-9-yl)-6-pentyl-benzoic acid

Systemtic Name:2-(3-azanyl-6-azanylidene-xanthen-9-yl)-6-pentyl-benzoic acid
Openeye Name:2-(3-amino-6-imino-xanthen-9-yl)-6-pentyl-benzoic acid
CAS Name:2-(3-amino-6-imino-9-xanthenyl)-6-pentylbenzoic acid
IUPAC Name:2-(3-amino-6-iminoxanthen-9-yl)-6-pentylbenzoic acid
Traditional Name:2-(3-amino-6-imino-xanthen-9-yl)-6-amyl-benzoic acid
Formula: C25H24N2O3
MolecularWeight: 400.46966
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=CC(=C1C(=O)O)C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N


Isomeric SMILES

CCCCCC1=CC=CC(=C1C(=O)O)C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N


InChI

InChI=1S/C25H24N2O3/c1-2-3-4-6-15-7-5-8-20(23(15)25(28)29)24-18-11-9-16(26)13-21(18)30-22-14-17(27)10-12-19(22)24/h5,7-14,26H,2-4,6,27H2,1H3,(H,28,29)


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