5-bromanyl-6-methoxy-3'-methyl-1'-octadecyl-3'-phenyl-spiro[chromene-2,2'-indole]

Systemtic Name: 5-bromanyl-6-methoxy-3'-methyl-1'-octadecyl-3'-phenyl-spiro[chromene-2,2'-indole] Openeye Name: 5-bromo-6-methoxy-3'-methyl-1'-octadecyl-3'-phenyl-spiro[chromene-2,2'-indoline] CAS Name: 5-bromo-6-methoxy-3'-methyl-1'-octadecyl-3'-phenylspiro[1-benzopyran-2,2'-indole] IUPAC Name: 5-bromo-6-methoxy-3'-methyl-1'-octadecyl-3'-phenylspiro[chromene-2,2'-indole] Traditional Name: 5-bromo-6-methoxy-3'-methyl-3'-phenyl-1'-stearyl-spiro[chromene-2,2'-indoline] Formula: C42H56BrNO2 MolecularWeight: 686.80354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(C13C=CC4=C(O3)C=CC(=C4Br)OC)(C)C5=CC=CC=C5

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(C13C=CC4=C(O3)C=CC(=C4Br)OC)(C)C5=CC=CC=C5

InChI

InChI=1S/C42H56BrNO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-33-44-37-28-23-22-27-36(37)41(2,34-25-20-19-21-26-34)42(44)32-31-35-38(46-42)29-30-39(45-3)40(35)43/h19-23,25-32H,4-18,24,33H2,1-3H3