9-[(4-chlorophenyl)methyl]-8-heptyl-5-(3-phosphonopropoxy)carbazole-4-carboxylic acid

Systemtic Name: 9-[(4-chlorophenyl)methyl]-8-heptyl-5-(3-phosphonopropoxy)carbazole-4-carboxylic acid Openeye Name: 9-[(4-chlorophenyl)methyl]-8-heptyl-5-(3-phosphonopropoxy)carbazole-4-carboxylic acid CAS Name: 9-[(4-chlorophenyl)methyl]-8-heptyl-5-(3-phosphonopropoxy)-4-carbazolecarboxylic acid IUPAC Name: 9-[(4-chlorophenyl)methyl]-8-heptyl-5-(3-phosphonopropoxy)carbazole-4-carboxylic acid Traditional Name: 9-(4-chlorobenzyl)-8-heptyl-5-(3-phosphonopropoxy)carbazole-4-carboxylic acid Formula: C30H35ClNO6P MolecularWeight: 572.028761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C2C(=C(C=C1)OCCCP(=O)(O)O)C3=C(C=CC=C3N2CC4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

CCCCCCCC1=C2C(=C(C=C1)OCCCP(=O)(O)O)C3=C(C=CC=C3N2CC4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C30H35ClNO6P/c1-2-3-4-5-6-9-22-14-17-26(38-18-8-19-39(35,36)37)28-27-24(30(33)34)10-7-11-25(27)32(29(22)28)20-21-12-15-23(31)16-13-21/h7,10-17H,2-6,8-9,18-20H2,1H3,(H,33,34)(H2,35,36,37)