octacosyl 4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]benzenesulfonate

Systemtic Name: octacosyl 4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]benzenesulfonate Openeye Name: octacosyl 4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]benzenesulfonate CAS Name: 4-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]benzenesulfonic acid octacosyl ester IUPAC Name: octacosyl 4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]benzenesulfonate Traditional Name: 4-[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]benzenesulfonic acid montanyl ester Formula: C41H67NO4S MolecularWeight: 670.03998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)NC=C2C=CC(=O)C=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)NC=C2C=CC(=O)C=C2

InChI

InChI=1S/C41H67NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-36-46-47(44,45)41-34-30-39(31-35-41)42-37-38-28-32-40(43)33-29-38/h28-35,37,42H,2-27,36H2,1H3