(6-methylsulfinyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl) 4-hexylbenzoate

Systemtic Name: (6-methylsulfinyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl) 4-hexylbenzoate Openeye Name: (6-methylsulfinyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl) 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid (6-methylsulfinyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl) ester IUPAC Name: (6-methylsulfinyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl) 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid (6-methylsulfinyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl) ester Formula: C26H31NO3S MolecularWeight: 437.59424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2CCC3=C(C2)C4=C(N3)C=CC(=C4)S(=O)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2CCC3=C(C2)C4=C(N3)C=CC(=C4)S(=O)C

InChI

InChI=1S/C26H31NO3S/c1-3-4-5-6-7-18-8-10-19(11-9-18)26(28)30-20-12-14-24-22(16-20)23-17-21(31(2)29)13-15-25(23)27-24/h8-11,13,15,17,20,27H,3-7,12,14,16H2,1-2H3