[9-(2-carboxyphenyl)-6-pentan-3-yl-xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [9-(2-carboxyphenyl)-6-pentan-3-yl-xanthen-3-ylidene]-diethyl-azanium Openeye Name: [9-(2-carboxyphenyl)-6-(1-ethylpropyl)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [9-(2-carboxyphenyl)-6-pentan-3-yl-3-xanthenylidene]-diethylammonium IUPAC Name: [9-(2-carboxyphenyl)-6-pentan-3-ylxanthen-3-ylidene]-diethylazanium Traditional Name: [9-(2-carboxyphenyl)-6-(1-ethylpropyl)xanthen-3-ylidene]-diethyl-ammonium Formula: C29H32NO3+ MolecularWeight: 442.56928

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCC(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C29H31NO3/c1-5-19(6-2)20-13-15-24-26(17-20)33-27-18-21(30(7-3)8-4)14-16-25(27)28(24)22-11-9-10-12-23(22)29(31)32/h9-19H,5-8H2,1-4H3/p+1